Molecule ID: 90658602

IUPAC Name: (Z,4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoic acid

Description: The molecule is a hexonic acid derivative that is (2Z,4S,5R)-4,5,6-trihydroxyhex-2-enoic acid substituted at position 2 by an amino group. It is an alpha-amino acid and a hexonic acid derivative. It is a tautomer of a (2Z,4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoic acid zwitterion and a (4S,5R)-4,5,6-trihydroxy-2-iminohexanoic 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/h1,4-5,8-10H,2,7H2,(H,11,12)/b3-1-/t4-,5+/m0/s1

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: -2.4