10284 <common-name>Poly(oxy-1,2-ethanediyl), .alpha.-butyl-.omega.-hydroxy-, ester with boric acid (H3BO3)</common-name> <description>Poly(oxy-1,2-ethanediyl),.alpha.-butyl-.omega.-hydroxy-, ester with boric acid (H3BO3) belongs to the organic oxoanionic compounds, a class of organic oxygen compounds within the organic compounds. With an average molecular weight of 890.95 g/mol, Poly(oxy-1,2-ethanediyl),.alpha.-butyl-.omega.-hydroxy-, ester with boric acid (H3BO3) is a heavy molecule. Its chemical formula is C42H87BO18.</description> <cas>106008-93-9</cas> <pubchem-id>73556645</pubchem-id> <chemical-formula>C42H87BO18</chemical-formula> <weight>890.9</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">2016-05-19T02:59:38Z</created-at> <updated-at type="dateTime">2026-09-01T01:26:20Z</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>CCCCOCCOCCOCCOCCOCCOB(OCCOCCOCCOCCOCCOCCCC)OCCOCCOCCOCCOCCOCCCC</moldb-smiles> <moldb-formula>C42H87BO18</moldb-formula> <moldb-inchi>InChI=1S/C42H87BO18/c1-4-7-10-44-13-16-47-19-22-50-25-28-53-31-34-56-37-40-59-43(60-41-38-57-35-32-54-29-26-51-23-20-48-17-14-45-11-8-5-2)61-42-39-58-36-33-55-30-27-52-24-21-49-18-15-46-12-9-6-3/h4-42H2,1-3H3</moldb-inchi> <moldb-inchikey>CJNOBBJGRYKOMN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">890.95</moldb-average-mass> <moldb-mono-mass type="decimal">890.598546</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM009179</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00101369</susdat-id> <iupac>tris[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl] borate</iupac> <moldb-polar-surface-area>166.14</moldb-polar-surface-area> <moldb-refractivity>228.41399999999996</moldb-refractivity> <moldb-polarizability>110.91493112573806</moldb-polarizability> <moldb-rotatable-bond-count>57</moldb-rotatable-bond-count> <moldb-acceptor-count>18</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-3.245441481956638</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>1.82</moldb-alogps-logp> <moldb-alogps-logs>-5.93</moldb-alogps-logs> <moldb-alogps-solubility>1.04e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organic oxoanionic compounds</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0092072</sync-id> <structure-inchikey>CJNOBBJGRYKOMN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000000000000000000000000000000000001000002000000000000000000000000000000000000000000000000000000000002000000000000010000000010100000000000001100000200000000200000000020000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000400000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000010000000000000000000080000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA9AAAAPAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIIACAAAAACBgBgAAAAAgIGAGAAAAACAggAIAAA AAIGAGAAAAACAgYAYAAAAAICCAAgAAAAAgYAYAAAAAICBgBgAAAAAgIIACAA AAACBgBgAAAAAgIGAGAAAAACAggAIAAAAAIGAGAAAAACAgYAYAAAAAICCAAg AAAAAgUAKAAAAAMDCAAgAAAAAgYAYAAAAAICBgBgAAAAAgIIACAAAAACBgBg AAAAAgIGAGAAAAACAggAIAAAAAIGAGAAAAACAgYAYAAAAAICCAAgAAAAAgYA YAAAAAICBgBgAAAAAgIIACAAAAACBgBgAAAAAgIGAGAAAAACAggAIAAAAAIG AGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAABAwgAIAAAAAIGAGAAAAAC AgYAYAAAAAICCAAgAAAAAgYAYAAAAAICBgBgAAAAAgIIACAAAAACBgBgAAAA AgIGAGAAAAACAggAIAAAAAIGAGAAAAACAgYAYAAAAAICCAAgAAAAAgYAYAAA AAICBgBgAAAAAgIIACAAAAACBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBg AAAAAQMLAAEAAQIAAgMAAwQABAUABQYABgcABwgACAkACQoACgsACwwADA0A DQ4ADg8ADxAAEBEAERIAEhMAExQAFBUAFRYAFhcAFxgAGBkAGRoAGhsAGxwA HB0AHR4AHh8AHyAAICEAISIAIiMAIyQAJCUAJSYAJicAJygAFCkAKSoAKisA KywALC0ALS4ALi8ALzAAMDEAMTIAMjMAMzQANDUANTYANjcANzgAODkAOToA OjsAOzwAQgAAAAAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:04:03Z</structure-indexed-at> </compound>