Molecule ID: 146170785

IUPAC Name: (3R,4R)-2-[(2R,3S,4R,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Description: The molecule is a disaccharide consisting of L-threo-hex-4-enopyranuronose and 2-(sulfoamino)-D-glucopyranose residues joined in sequence by a (1->4) glycosidic bond. It derives from a 4,5-dehydro-D-glucuronic acid.

SMILES: O=C(O)C1=C(O)[C@H](O)[C@@H](O)C(O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)C(O)O[C@@H]2CO)O1

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

InChI: InChI=1S/C12H19NO14S/c14-1-2-8(4(15)3(11(21)25-2)13-28(22,23)24)26-12-7(18)5(16)6(17)9(27-12)10(19)20/h2-5,7-8,11-18,21H,1H2,(H,19,20)(H,22,23,24)/t2-,3-,4-,5+,7-,8-,11?,12?/m1/s1

Molecular Properties:
- Polar Surface Area: 261.0 Ų
- LogP: -4.6