Molecule ID: 70789001

IUPAC Name: (2R,4R)-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-prop-2-enoxy-3,4-dihydropyran-2-carboxylic acid

Description: The molecule is a disaccharide derivative consisting of a 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl unit joined via an alpha-(2->4)-linkage to a 5,6-dehydro-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl unit with an O-allyl group at the anomeric centre.

SMILES: C=CCO[C@]1(C(=O)O)C[C@@H](O[C@]2(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O2)C=C([C@H](O)CO)O1

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

InChI: InChI=1S/C19H28O14/c1-2-3-30-18(16(26)27)5-9(4-13(32-18)11(23)7-20)31-19(17(28)29)6-10(22)14(25)15(33-19)12(24)8-21/h2,4,9-12,14-15,20-25H,1,3,5-8H2,(H,26,27)(H,28,29)/t9-,10+,11+,12+,14+,15+,18+,19+/m0/s1

Molecular Properties:
- Polar Surface Area: 233.0 Ų
- LogP: -3.3