Molecule ID: 16126799

IUPAC Name: (2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoate

Description: The molecule is a monocarboxylic acid anion resulting from deprotonation of the carboxy group of N-acetyl-D-glucosaminic acid; major species at pH 7.3. It is a carbohydrate acid derivative anion and a monocarboxylic acid anion. It derives from a D-gluconate. It is a conjugate base of a N-acetyl-D-glucosaminic acid.

SMILES: CC([O-])=N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO

SELFIES: [C][C][Branch1][C][O-1][=N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O]

InChI: InChI=1S/C8H15NO7/c1-3(11)9-5(8(15)16)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H,15,16)/p-1/t4-,5-,6-,7-/m1/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -2.7