Molecule ID: 40418670

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

Description: The molecule is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 2-amino-2-deoxy-D-gluconic acid; major species at pH 7.3. It is a conjugate acid of a 2-amino-2-deoxy-D-gluconate. It is a tautomer of a 2-amino-2-deoxy-D-gluconic acid.

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

SELFIES: [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/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1

Molecular Properties:
- Polar Surface Area: 149.0 Ų
- LogP: -5.3