6-[[3-acetamido-6-(hydroxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecoxy)oxan-2-yl]oxymethyl]-5-oxidanyl-3-(tetradecanoylamino)-4-tetradecoxy-oxane-2-carboxylic acid

Systemtic Name: 6-[[3-acetamido-6-(hydroxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecoxy)oxan-2-yl]oxymethyl]-5-oxidanyl-3-(tetradecanoylamino)-4-tetradecoxy-oxane-2-carboxylic acid Openeye Name: 6-[[3-acetamido-6-(hydroxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecoxy)tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-3-(tetradecanoylamino)-4-tetradecoxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[3-acetamido-6-(hydroxymethyl)-4-[3-(1-oxotetradecoxy)tetradecoxy]-5-phosphonooxy-2-oxanyl]oxymethyl]-5-hydroxy-3-(1-oxotetradecylamino)-4-tetradecoxy-2-oxanecarboxylic acid IUPAC Name: 6-[[3-acetamido-6-(hydroxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecoxy)oxan-2-yl]oxymethyl]-5-hydroxy-3-(tetradecanoylamino)-4-tetradecoxyoxane-2-carboxylic acid Traditional Name: 6-[[3-acetamido-6-methylol-5-phosphonooxy-4-(3-tetradecanoyloxytetradecoxy)tetrahydropyran-2-yl]oxymethyl]-5-hydroxy-4-myristyloxy-3-(tetradecanoylamino)tetrahydropyran-2-carboxylic acid Formula: C71H135N2O17P MolecularWeight: 1319.808561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1C(C(OC(C1O)COC2C(C(C(C(O2)CO)OP(=O)(O)O)OCCC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C)C(=O)O)NC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCOC1C(C(OC(C1O)COC2C(C(C(C(O2)CO)OP(=O)(O)O)OCCC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C)C(=O)O)NC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C71H135N2O17P/c1-6-10-14-18-22-26-29-32-36-40-44-48-53-84-67-63(73-61(76)50-46-42-38-34-30-27-23-19-15-11-7-2)69(70(79)80)88-60(65(67)78)56-86-71-64(72-57(5)75)68(66(59(55-74)89-71)90-91(81,82)83)85-54-52-58(49-45-41-37-33-25-21-17-13-9-4)87-62(77)51-47-43-39-35-31-28-24-20-16-12-8-3/h58-60,63-69,71,74,78H,6-56H2,1-5H3,(H,72,75)(H,73,76)(H,79,80)(H2,81,82,83)