Molecule ID: 51399521

IUPAC Name: (2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoate

Description: The molecule is a carbohydrate acid derivative anion that is the conjugate base of N-acetyl-beta-muramic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a N-acetyl-beta-D-muramic acid.

SMILES: CC([O-])=N[C@@H]1[C@@H](O[C@H](C)C(=O)O)[C@H](O)[C@@H](CO)O[C@H]1O

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

InChI: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/p-1/t4-,6-,7-,8-,9-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 148.0 Ų
- LogP: -1.4