Molecule ID: 91826598

IUPAC Name: (2R,4R,5R,6S)-2,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-oxoethyl]oxane-2-carboxylic acid

Description: The molecule is a ketoaldonic acid obtained by oxidation of the 8-hydroxy group of 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid to the corresponding aldehyde. It is a ketoaldonic acid and an aldehyde. It is a conjugate acid of a (7R)-6-deoxy-D-manno-oct-7-ulosuronate.

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

SELFIES: [O][=C][C@@H1][Branch1][C][O][C@H1][O][C@@][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][Branch1][C][O][C@H1][Ring1][O][O]

InChI: InChI=1S/C8H12O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h2-6,10-12,15H,1H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 145.0 Ų
- LogP: -2.7