(3R,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[(2S,3R)-3-oxidanyl-2-[[(2S)-2-oxidanyltetradecanoyl]amino]octadecoxy]oxane-2-carboxylic acid

Systemtic Name: (3R,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[(2S,3R)-3-oxidanyl-2-[[(2S)-2-oxidanyltetradecanoyl]amino]octadecoxy]oxane-2-carboxylic acid Openeye Name: (3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R)-3-hydroxy-2-[[(2S)-2-hydroxytetradecanoyl]amino]octadecoxy]tetrahydropyran-2-carboxylic acid CAS Name: (3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R)-3-hydroxy-2-[[(2S)-2-hydroxy-1-oxotetradecyl]amino]octadecoxy]-2-oxanecarboxylic acid IUPAC Name: (3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R)-3-hydroxy-2-[[(2S)-2-hydroxytetradecanoyl]amino]octadecoxy]oxane-2-carboxylic acid Traditional Name: (3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R)-3-hydroxy-2-[[(2S)-2-hydroxytetradecanoyl]amino]octadecoxy]tetrahydropyran-2-carboxylic acid Formula: C38H73NO10 MolecularWeight: 703.98692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(COC1C(C(C(C(O1)C(=O)O)O)O)O)NC(=O)C(CCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H](C(O1)C(=O)O)O)O)O)NC(=O)[C@H](CCCCCCCCCCCC)O)O

InChI

InChI=1S/C38H73NO10/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-30(40)29(28-48-38-34(44)32(42)33(43)35(49-38)37(46)47)39-36(45)31(41)27-25-23-21-18-14-12-10-8-6-4-2/h29-35,38,40-44H,3-28H2,1-2H3,(H,39,45)(H,46,47)/t29-,30+,31-,32-,33+,34+,35?,38-/m0/s1