[2-(hydroxymethyl)-6-oxidanyl-5-(3-oxidanyltetradecanoylamino)-3-phosphonooxy-oxan-4-yl] 3-nonylnonadecanoate

Systemtic Name: [2-(hydroxymethyl)-6-oxidanyl-5-(3-oxidanyltetradecanoylamino)-3-phosphonooxy-oxan-4-yl] 3-nonylnonadecanoate Openeye Name: [2-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)-5-phosphonooxy-tetrahydropyran-4-yl] 3-nonylnonadecanoate CAS Name: 3-nonylnonadecanoic acid [2-hydroxy-6-(hydroxymethyl)-3-[(3-hydroxy-1-oxotetradecyl)amino]-5-phosphonooxy-4-oxanyl] ester IUPAC Name: [2-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)-5-phosphonooxyoxan-4-yl] 3-nonylnonadecanoate Traditional Name: 3-nonylnonadecanoic acid [2-hydroxy-3-(3-hydroxytetradecanoylamino)-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C48H94NO11P MolecularWeight: 892.233821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)CO)O)NC(=O)CC(CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)CO)O)NC(=O)CC(CCCCCCCCCCC)O

InChI

InChI=1S/C48H94NO11P/c1-4-7-10-13-16-18-19-20-21-22-24-26-29-32-35-40(34-31-28-25-15-12-9-6-3)37-44(53)59-47-45(48(54)58-42(39-50)46(47)60-61(55,56)57)49-43(52)38-41(51)36-33-30-27-23-17-14-11-8-5-2/h40-42,45-48,50-51,54H,4-39H2,1-3H3,(H,49,52)(H2,55,56,57)