Molecule ID: 45266784

IUPAC Name: N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide

Description: The molecule is an amido disaccharide comprising 4,6-dideoxy-4-(2-methoxypropanamido)-3-C-methyl-2-O-methyl-L-mannopyranose linked through the anomeric carbon to the 3-hydroxy group of L-fucose. It derives from a L-fucopyranose.

SMILES: COC(C)C(O)=N[C@H]1[C@H](C)OC(O[C@@H]2[C@H](O)[C@H](C)OC(O)[C@H]2O)[C@H](OC)[C@]1(C)O

SELFIES: [C][O][C][Branch1][C][C][C][Branch1][C][O][=N][C@H1][C@H1][Branch1][C][C][O][C][Branch2][Ring1][Ring2][O][C@@H1][C@H1][Branch1][C][O][C@H1][Branch1][C][C][O][C][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Branch1][Ring1][O][C][C@][Ring2][Ring1][Ring2][Branch1][C][C][O]

InChI: InChI=1S/C18H33NO10/c1-7-10(20)12(11(21)16(23)27-7)29-17-14(26-6)18(4,24)13(8(2)28-17)19-15(22)9(3)25-5/h7-14,16-17,20-21,23-24H,1-6H3,(H,19,22)/t7-,8-,9?,10+,11-,12+,13-,14-,16?,17?,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: -2.2