Molecule ID: 132282065

IUPAC Name: (6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyheptanoate

Description: The molecule is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of ascr#1. The conjugate base of ascr#1 and the major species at pH 7.3. It is a conjugate base of an ascr#1.

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

SELFIES: [C][C@H1][Branch1][#Branch2][C][C][C][C][C][=Branch1][C][=O][O-1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][C@H1][Ring1][Branch2][O]

InChI: InChI=1S/C13H24O6/c1-8(5-3-4-6-12(16)17)18-13-11(15)7-10(14)9(2)19-13/h8-11,13-15H,3-7H2,1-2H3,(H,16,17)/p-1/t8-,9+,10-,11-,13-/m1/s1

Molecular Properties:
- Polar Surface Area: 99.0 Ų
- LogP: 1.1