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

Systemtic Name: [2-(hydroxymethyl)-6-oxidanyl-5-(3-oxidanyltetradecanoylamino)-3-phosphonooxy-oxan-4-yl] 3-undecylhenicosanoate Openeye Name: [2-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)-5-phosphonooxy-tetrahydropyran-4-yl] 3-undecylhenicosanoate CAS Name: 3-undecylheneicosanoic 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-undecylhenicosanoate Traditional Name: 3-undecylheneicosanoic acid [2-hydroxy-3-(3-hydroxytetradecanoylamino)-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C52H102NO11P MolecularWeight: 948.340141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H102NO11P/c1-4-7-10-13-16-19-20-21-22-23-24-25-28-30-33-36-39-44(38-35-32-29-26-17-14-11-8-5-2)41-48(57)63-51-49(52(58)62-46(43-54)50(51)64-65(59,60)61)53-47(56)42-45(55)40-37-34-31-27-18-15-12-9-6-3/h44-46,49-52,54-55,58H,4-43H2,1-3H3,(H,53,56)(H2,59,60,61)