[(2R,3R,4R,5R,6S)-2-ethyl-3-oxidanyl-5-(3-oxidanyltetradecanoylamino)-6-phosphonooxy-oxan-4-yl] 3-oxidanyltetradecanoate

Systemtic Name: [(2R,3R,4R,5R,6S)-2-ethyl-3-oxidanyl-5-(3-oxidanyltetradecanoylamino)-6-phosphonooxy-oxan-4-yl] 3-oxidanyltetradecanoate Openeye Name: [(2R,3R,4R,5R,6S)-2-ethyl-3-hydroxy-5-(3-hydroxytetradecanoylamino)-6-phosphonooxy-tetrahydropyran-4-yl] 3-hydroxytetradecanoate CAS Name: 3-hydroxytetradecanoic acid [(2R,3R,4R,5R,6S)-2-ethyl-3-hydroxy-5-[(3-hydroxy-1-oxotetradecyl)amino]-6-phosphonooxy-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6S)-2-ethyl-3-hydroxy-5-(3-hydroxytetradecanoylamino)-6-phosphonooxyoxan-4-yl] 3-hydroxytetradecanoate Traditional Name: 3-hydroxymyristic acid [(2R,3R,4R,5R,6S)-2-ethyl-3-hydroxy-5-(3-hydroxytetradecanoylamino)-6-phosphonooxy-tetrahydropyran-4-yl] ester Formula: C35H68NO11P MolecularWeight: 709.888281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CC)O)OC(=O)CC(CCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OP(=O)(O)O)CC)O)OC(=O)CC(CCCCCCCCCCC)O)O

InChI

InChI=1S/C35H68NO11P/c1-4-7-9-11-13-15-17-19-21-23-27(37)25-30(39)36-32-34(33(41)29(6-3)45-35(32)47-48(42,43)44)46-31(40)26-28(38)24-22-20-18-16-14-12-10-8-5-2/h27-29,32-35,37-38,41H,4-26H2,1-3H3,(H,36,39)(H2,42,43,44)/t27?,28?,29-,32-,33-,34-,35+/m1/s1