Molecule ID: 71728451

IUPAC Name: (2R,3R,4S,5R)-2-azaniumyl-3,4,5-trihydroxy-6-phosphonatooxyhexanoate

Description: The molecule is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups and protonation of the amino group from D-glucosaminate 6-phosphate. It is a conjugate base of a D-glucosaminic acid 6-phosphate.

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

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

InChI: InChI=1S/C6H14NO9P/c7-3(6(11)12)5(10)4(9)2(8)1-16-17(13,14)15/h2-5,8-10H,1,7H2,(H,11,12)(H2,13,14,15)/p-2/t2-,3-,4-,5-/m1/s1

Molecular Properties:
- Polar Surface Area: 201.0 Ų
- LogP: -6.5