3-[6-(hydroxymethyl)-3-(3-methoxytetradecanoylamino)-4-(3-methoxytetradecanoyloxy)-5-phosphanyloxy-oxan-2-yl]oxy-2-(3-methoxytetradecanoylamino)propanoic acid

Systemtic Name: 3-[6-(hydroxymethyl)-3-(3-methoxytetradecanoylamino)-4-(3-methoxytetradecanoyloxy)-5-phosphanyloxy-oxan-2-yl]oxy-2-(3-methoxytetradecanoylamino)propanoic acid Openeye Name: 3-[6-(hydroxymethyl)-3-(3-methoxytetradecanoylamino)-4-(3-methoxytetradecanoyloxy)-5-phosphanyloxy-tetrahydropyran-2-yl]oxy-2-(3-methoxytetradecanoylamino)propanoic acid CAS Name: 3-[[6-(hydroxymethyl)-4-(3-methoxy-1-oxotetradecoxy)-3-[(3-methoxy-1-oxotetradecyl)amino]-5-phosphinooxy-2-oxanyl]oxy]-2-[(3-methoxy-1-oxotetradecyl)amino]propanoic acid IUPAC Name: 3-[6-(hydroxymethyl)-3-(3-methoxytetradecanoylamino)-4-(3-methoxytetradecanoyloxy)-5-phosphanyloxyoxan-2-yl]oxy-2-(3-methoxytetradecanoylamino)propanoic acid Traditional Name: 2-(3-methoxytetradecanoylamino)-3-[3-(3-methoxytetradecanoylamino)-4-(3-methoxytetradecanoyloxy)-6-methylol-5-phosphinooxy-tetrahydropyran-2-yl]oxy-propionic acid Formula: C54H103N2O13P MolecularWeight: 1019.374981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OCC(C(=O)O)NC(=O)CC(CCCCCCCCCCC)OC)CO)OP)OC(=O)CC(CCCCCCCCCCC)OC)OC

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OCC(C(=O)O)NC(=O)CC(CCCCCCCCCCC)OC)CO)OP)OC(=O)CC(CCCCCCCCCCC)OC)OC

InChI

InChI=1S/C54H103N2O13P/c1-7-10-13-16-19-22-25-28-31-34-42(63-4)37-47(58)55-45(53(61)62)41-66-54-50(56-48(59)38-43(64-5)35-32-29-26-23-20-17-14-11-8-2)52(51(69-70)46(40-57)67-54)68-49(60)39-44(65-6)36-33-30-27-24-21-18-15-12-9-3/h42-46,50-52,54,57H,7-41,70H2,1-6H3,(H,55,58)(H,56,59)(H,61,62)