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

Systemtic Name: [2-(hydroxymethyl)-6-oxidanyl-5-(3-oxidanyltetradecanoylamino)-3-phosphonooxy-oxan-4-yl] 3-nonylhenicosanoate Openeye Name: [2-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)-5-phosphonooxy-tetrahydropyran-4-yl] 3-nonylhenicosanoate CAS Name: 3-nonylheneicosanoic 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-nonylhenicosanoate Traditional Name: 3-nonylheneicosanoic acid [2-hydroxy-3-(3-hydroxytetradecanoylamino)-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C50H98NO11P MolecularWeight: 920.286981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H98NO11P/c1-4-7-10-13-16-18-19-20-21-22-23-24-26-28-31-34-37-42(36-33-30-27-15-12-9-6-3)39-46(55)61-49-47(50(56)60-44(41-52)48(49)62-63(57,58)59)51-45(54)40-43(53)38-35-32-29-25-17-14-11-8-5-2/h42-44,47-50,52-53,56H,4-41H2,1-3H3,(H,51,54)(H2,57,58,59)