<common-name>S-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (e)-non-2-enethioate</common-name> <description>S-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (e)-non-2-enethioate is a chemical compound with the formula C30H50N7O17P3S. With an average molecular weight of 905.70 g/mol, S-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (e)-non-2-enethioate is a heavy molecule.</description> <cas>1527491-63-9</cas> <pubchem-id>72193684</pubchem-id> <chemical-formula>C30H50N7O17P3S</chemical-formula> <weight>905.7</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-31T16:29:55Z</created-at> <updated-at type="dateTime">2026-08-31T16:29:55Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O</moldb-smiles> <moldb-formula>C30H50N7O17P3S</moldb-formula> <moldb-inchi>InChI=1S/C30H50N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h9-10,17-19,23-25,29,40-41H,4-8,11-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b10-9+/t19-,23-,24-,25+,29-/m1/s1</moldb-inchi> <moldb-inchikey>HBLOTZDYPZAZLE-OWQWVSLFSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">905.2196753</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM346933</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>S-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (e)-non-2-enethioate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acyl thioesters</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0301342</sync-id> <structure-inchikey>HBLOTZDYPZAZLE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400400014040080000108000000028000000000000000000a4004000100000000000000002000000000000000210002080804000024000000080000003400020000000000000000440010400200000001020801000000300000000000000400001001022012000000000000100000000000000000900000020000800000000180040000040000000011000400000810480009082100000000000000014400000000000000000000000080000080000000000000088085000000100000000000001000008480004000000000000000000000000008000080808000000000000000000201000020000001040000000010440000002000000000000000400400000</structure-fingerprint> <structure-pattern-fingerprint>7126e2608532c620c9c4136583f8a281991014ba8557a070853c20d48b30ebcc74622053138000480508412804c9210817600b24d08e7225035e7d7980a24004c71194891a90172082d012c01a722b000844c59051211fb750146c6254238b378cb865af084c122064490290dff40045708690728159ed06b15a2e6102511807d46e38984ef0820a0c170252ceac1288391cda164562be2a74201b2060c047a4d3d3129311b0c2300a844d60077d35144ac9004389410a4038904ab0ec600213ac0112a4b5f957b31d8104a6771142990d650094232870628d78730c2e00730691384db418898b2d134c2411d916208e4a501430c0c2840e13119b807a08044e</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��:��<��€��`��`��`��`��`��`��h��h��(��(�� `��`��h��(��(��`��`��h��(��(��`�� `��`��`�� (��`�� (��`�� `��`��`��`��`�� @(��@h��@(��@(��@(��@(��@h��@(��@(��h��`�� (��`��`��`��(�� (�� (�� (�� !��"�"#�#$�$%�%&�&'�'(�')�)*h�*+h�+,h�,-h�-.h�./h�/0h�01h�-2 &3�%4�45�56��57�58��9�($�1)h�1,h�B��$%&'(�*)1,+�-./01,��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:48:59Z</structure-indexed-at> </compound>

351040 <common-name>S-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (e)-non-2-enethioate</common-name> <description>S-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (e)-non-2-enethioate is a chemical compound with the formula C30H50N7O17P3S. With an average molecular weight of 905.70 g/mol, S-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (e)-non-2-enethioate is a heavy molecule.</description> <cas>1527491-63-9</cas> <pubchem-id>72193684</pubchem-id> <chemical-formula>C30H50N7O17P3S</chemical-formula> <weight>905.7</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-31T16:29:55Z</created-at> <updated-at type="dateTime">2026-08-31T16:29:55Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O</moldb-smiles> <moldb-formula>C30H50N7O17P3S</moldb-formula> <moldb-inchi>InChI=1S/C30H50N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h9-10,17-19,23-25,29,40-41H,4-8,11-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b10-9+/t19-,23-,24-,25+,29-/m1/s1</moldb-inchi> <moldb-inchikey>HBLOTZDYPZAZLE-OWQWVSLFSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">905.2196753</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM346933</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>S-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (e)-non-2-enethioate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acyl thioesters</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0301342</sync-id> <structure-inchikey>HBLOTZDYPZAZLE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400400014040080000108000000028000000000000000000a4004000100000000000000002000000000000000210002080804000024000000080000003400020000000000000000440010400200000001020801000000300000000000000400001001022012000000000000100000000000000000900000020000800000000180040000040000000011000400000810480009082100000000000000014400000000000000000000000080000080000000000000088085000000100000000000001000008480004000000000000000000000000008000080808000000000000000000201000020000001040000000010440000002000000000000000400400000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��:��<��€��`��`��`��`��`��`��h��h��(��(�� `��`��h��(��(��`��`��h��(��(��`�� `��`��`�� (��`�� (��`�� `��`��`��`��`�� @(��@h��@(��@(��@(��@(��@h��@(��@(��h��`�� (��`��`��`��(�� (�� (�� (�� !��"�"#�#$�$%�%&�&'�'(�')�)*h�*+h�+,h�,-h�-.h�./h�/0h�01h�-2 &3�%4�45�56��57�58��9�($�1)h�1,h�B��$%&'(�*)1,+�-./01,��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:48:59Z</structure-indexed-at> </compound>