Molecule ID: 90658241

IUPAC Name: (4S,5R)-4,5,6-trihydroxy-2-iminohexanoic acid

Description: The molecule is a hexonic acid derivative that is (4S,5R)-4,5,6-trihydroxyhexanoic acid substituted at position 2 by an imino group. It is a dehydroamino acid, a ketimine and a hexonic acid derivative. It is a tautomer of a (4S,5R)-4,5,6-trihydroxy-2-iminohexanoic acid zwitterion and a (2Z,4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoic acid.

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

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

InChI: InChI=1S/C6H11NO5/c7-3(6(11)12)1-4(9)5(10)2-8/h4-5,7-10H,1-2H2,(H,11,12)/t4-,5+/m0/s1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: -2.2