[1-[[6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-phosphonooxy-4-tetradecanoyl-oxan-3-yl]amino]-1-oxidanylidene-tetradecan-2-yl] tetradecanoate

Systemtic Name: [1-[[6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-phosphonooxy-4-tetradecanoyl-oxan-3-yl]amino]-1-oxidanylidene-tetradecan-2-yl] tetradecanoate Openeye Name: 1-[[2,4-dihydroxy-6-(hydroxymethyl)-5-phosphonooxy-4-tetradecanoyl-tetrahydropyran-3-yl]carbamoyl]tridecyl tetradecanoate CAS Name: tetradecanoic acid [1-[[2,4-dihydroxy-6-(hydroxymethyl)-4-(1-oxotetradecyl)-5-phosphonooxy-3-oxanyl]amino]-1-oxotetradecan-2-yl] ester IUPAC Name: [1-[[2,4-dihydroxy-6-(hydroxymethyl)-5-phosphonooxy-4-tetradecanoyloxan-3-yl]amino]-1-oxotetradecan-2-yl] tetradecanoate Traditional Name: myristic acid 1-[(2,4-dihydroxy-6-methylol-5-phosphonooxy-4-tetradecanoyl-tetrahydropyran-3-yl)carbamoyl]tridecyl ester Formula: C48H92NO12P MolecularWeight: 906.217341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C1(C(C(OC(C1OP(=O)(O)O)CO)O)NC(=O)C(CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C1(C(C(OC(C1OP(=O)(O)O)CO)O)NC(=O)C(CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O

InChI

InChI=1S/C48H92NO12P/c1-4-7-10-13-16-19-22-25-28-31-34-37-42(51)48(55)44(47(54)60-41(39-50)45(48)61-62(56,57)58)49-46(53)40(36-33-30-27-24-21-18-15-12-9-6-3)59-43(52)38-35-32-29-26-23-20-17-14-11-8-5-2/h40-41,44-45,47,50,54-55H,4-39H2,1-3H3,(H,49,53)(H2,56,57,58)