Molecule ID: 45266739

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

Description: The molecule is an organophosphate oxoanion that is a trianion arising from deprotonation of phosphate and carboxylic acid functions of N-acetyl-beta-muramic acid 6-phosphate. It is a conjugate base of a N-acetyl-beta-muramic acid 6-phosphate.

SMILES: CC([O-])=N[C@@H]1[C@@H](O[C@H](C)C(=O)[O-])[C@H](O)[C@@H](COP(=O)([O-])O)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-1][C@H1][Branch1][C][O][C@@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][O][C@H1][Ring2][Ring1][Ring1][O]

InChI: InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/p-3/t4-,6-,7-,8-,9-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 201.0 Ų
- LogP: -3.2