(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-methoxy-1,2-bis(oxidanyl)propyl]-4-oxidanyl-2-[(1R,2S,3S,4R,5S,6R)-2,3,4,6-tetrakis(oxidanyl)-5-[oxidanyl-[(E,2S,3R)-3-oxidanyl-2-(tetracosanoylamino)hexadec-4-enoxy]phosphoryl]oxy-cyclohexyl]oxy-oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-methoxy-1,2-bis(oxidanyl)propyl]-4-oxidanyl-2-[(1R,2S,3S,4R,5S,6R)-2,3,4,6-tetrakis(oxidanyl)-5-[oxidanyl-[(E,2S,3R)-3-oxidanyl-2-(tetracosanoylamino)hexadec-4-enoxy]phosphoryl]oxy-cyclohexyl]oxy-oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-3-methoxy-propyl]-4-hydroxy-2-[(1R,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-[hydroxy-[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)hexadec-4-enoxy]phosphoryl]oxy-cyclohexoxy]tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-3-methoxypropyl]-4-hydroxy-2-[(1R,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-[hydroxy-[(E,2S,3R)-3-hydroxy-2-(1-oxotetracosylamino)hexadec-4-enoxy]phosphoryl]oxycyclohexyl]oxy-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-3-methoxypropyl]-4-hydroxy-2-[(1R,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-[hydroxy-[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)hexadec-4-enoxy]phosphoryl]oxycyclohexyl]oxyoxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-3-methoxy-propyl]-4-hydroxy-2-[(1R,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-[hydroxy-[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)hexadec-4-enoxy]phosphoryl]oxy-cyclohexoxy]tetrahydropyran-2-carboxylic acid Formula: C58H109N2O19P MolecularWeight: 1169.461821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OC1C(C(C(C(C1O)OC2(CC(C(C(O2)C(C(COC)O)O)NC(=O)C)O)C(=O)O)O)O)O)C(C=CCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](COC)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCC)O

InChI

InChI=1S/C58H109N2O19P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-47(65)60-43(44(62)37-35-33-31-29-27-16-14-12-10-8-6-2)40-76-80(73,74)79-56-52(69)50(67)51(68)55(53(56)70)78-58(57(71)72)39-45(63)48(59-42(3)61)54(77-58)49(66)46(64)41-75-4/h35,37,43-46,48-56,62-64,66-70H,5-34,36,38-41H2,1-4H3,(H,59,61)(H,60,65)(H,71,72)(H,73,74)/b37-35+/t43-,44+,45-,46+,48+,49+,50-,51-,52+,53+,54+,55+,56-,58-/m0/s1