Molecule ID: 45480536

IUPAC Name: (2S,4aR,6R,7R,8R,8aR)-6,7-dihydroxy-8-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

Description: The molecule is a monosaccharide derivative that is beta-D-glucopyranose having a methyl group at the 3-position and a 1-carboxyethylidene group masking the 4-and 6-positions. It derives from a beta-D-glucose.

SMILES: CO[C@@H]1[C@@H](O)[C@H](O)O[C@@H]2CO[C@](C)(C(=O)O)O[C@@H]12

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

InChI: InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-6(18-10)7(15-2)5(11)8(12)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7-,8-,10+/m1/s1

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: -1.8