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

Systemtic Name: [2-(hydroxymethyl)-6-oxidanyl-5-(3-oxidanyltetradecanoylamino)-3-phosphonooxy-oxan-4-yl] 3-nonylheptadecanoate Openeye Name: [2-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)-5-phosphonooxy-tetrahydropyran-4-yl] 3-nonylheptadecanoate CAS Name: 3-nonylheptadecanoic 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-nonylheptadecanoate Traditional Name: 3-nonylheptadecanoic acid [2-hydroxy-3-(3-hydroxytetradecanoylamino)-6-methylol-5-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C46H90NO11P MolecularWeight: 864.180661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H90NO11P/c1-4-7-10-13-16-18-19-20-22-24-27-30-33-38(32-29-26-23-15-12-9-6-3)35-42(51)57-45-43(46(52)56-40(37-48)44(45)58-59(53,54)55)47-41(50)36-39(49)34-31-28-25-21-17-14-11-8-5-2/h38-40,43-46,48-49,52H,4-37H2,1-3H3,(H,47,50)(H2,53,54,55)