(2R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-2-(docosanoylamino)-3,4-bis(oxidanyl)octadecoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-5-(2-oxidanylethanoylamino)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-2-(docosanoylamino)-3,4-bis(oxidanyl)octadecoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-5-(2-oxidanylethanoylamino)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-2-(docosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-(1-oxodocosylamino)octadecoxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-4-hydroxy-5-[(2-hydroxy-1-oxoethyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-2-(docosanoylamino)-3,4-dihydroxyoctadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-2-(docosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-5-(glycoloylamino)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C57H108N2O18 MolecularWeight: 1109.47002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)COC2(CC(C(C(O2)C(C(CO)O)O)NC(=O)CO)O)C(=O)O)O)O)O)C(C(CCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C57H108N2O18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-46(65)58-41(49(67)42(62)34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-74-55-53(71)52(70)51(69)45(76-55)40-75-57(56(72)73)36-43(63)48(59-47(66)38-61)54(77-57)50(68)44(64)37-60/h41-45,48-55,60-64,67-71H,3-40H2,1-2H3,(H,58,65)(H,59,66)(H,72,73)/t41-,42+,43-,44+,45+,48+,49-,50+,51+,52-,53+,54+,55+,57+/m0/s1