[(3r,4r,5s,6r)-2-hydroxy-6-(hydroxymethyl)-3-[[(3s)-3-(9-phenylnonanoyloxy)tetradecanoyl]amino]-5-sulfooxyoxan-4-yl] 9-phenylnonanoate (CHEM220283)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 19:28:23 UTC | ||||||||
| Update Date | 2026-08-22 19:28:23 UTC | ||||||||
| Accession Number | CHEM220283 | ||||||||
| Identification | |||||||||
| Common Name | [(3r,4r,5s,6r)-2-hydroxy-6-(hydroxymethyl)-3-[[(3s)-3-(9-phenylnonanoyloxy)tetradecanoyl]amino]-5-sulfooxyoxan-4-yl] 9-phenylnonanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | [(3r,4r,5s,6r)-2-hydroxy-6-(hydroxymethyl)-3-[[(3s)-3-(9-phenylnonanoyloxy)tetradecanoyl]amino]-5-sulfooxyoxan-4-yl] 9-phenylnonanoate belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 918.20 g/mol, [(3r,4r,5s,6r)-2-hydroxy-6-(hydroxymethyl)-3-[[(3s)-3-(9-phenylnonanoyloxy)tetradecanoyl]amino]-5-sulfooxyoxan-4-yl] 9-phenylnonanoate is a heavy molecule. Its chemical formula is C50H79NO12S. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C50H79NO12S | ||||||||
| Average Molecular Mass | 918.200 g/mol | ||||||||
| Monoisotopic Mass | 917.532 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | [(3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3S)-3-(9-phenylnonanoyloxy)tetradecanoyl]amino]-5-sulfooxyoxan-4-yl] 9-phenylnonanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C50H79NO12S/c1-2-3-4-5-6-7-8-15-26-35-42(60-45(54)36-27-16-11-9-13-20-29-40-31-22-18-23-32-40)38-44(53)51-47-49(48(63-64(57,58)59)43(39-52)61-50(47)56)62-46(55)37-28-17-12-10-14-21-30-41-33-24-19-25-34-41/h18-19,22-25,31-34,42-43,47-50,52,56H,2-17,20-21,26-30,35-39H2,1H3,(H,51,53)(H,57,58,59)/t42-,43+,47+,48+,49+,50?/m0/s1 | ||||||||
| InChI Key | CMFLZLVEEJRCCP-DFNRPQSLSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
