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

Systemtic Name: [3-diphenoxyphosphoryloxy-2-(hydroxymethyl)-6-oxidanyl-5-(3-oxidanyltetradecanoylamino)oxan-4-yl] 3-nonylhenicosanoate Openeye Name: [5-diphenoxyphosphoryloxy-2-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)tetrahydropyran-4-yl] 3-nonylhenicosanoate CAS Name: 3-nonylheneicosanoic acid [5-diphenoxyphosphoryloxy-2-hydroxy-6-(hydroxymethyl)-3-[(3-hydroxy-1-oxotetradecyl)amino]-4-oxanyl] ester IUPAC Name: [5-diphenoxyphosphoryloxy-2-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanoylamino)oxan-4-yl] 3-nonylhenicosanoate Traditional Name: 3-nonylheneicosanoic acid [5-diphenoxyphosphoryloxy-2-hydroxy-3-(3-hydroxytetradecanoylamino)-6-methylol-tetrahydropyran-4-yl] ester Formula: C62H106NO11P MolecularWeight: 1072.478901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)CO)O)NC(=O)CC(CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)CO)O)NC(=O)CC(CCCCCCCCCCC)O

InChI

InChI=1S/C62H106NO11P/c1-4-7-10-13-16-18-19-20-21-22-23-24-26-28-31-36-43-52(42-35-30-27-15-12-9-6-3)49-58(67)71-61-59(63-57(66)50-53(65)44-37-32-29-25-17-14-11-8-5-2)62(68)70-56(51-64)60(61)74-75(69,72-54-45-38-33-39-46-54)73-55-47-40-34-41-48-55/h33-34,38-41,45-48,52-53,56,59-62,64-65,68H,4-32,35-37,42-44,49-51H2,1-3H3,(H,63,66)