Molecule ID: 25137912

IUPAC Name: (2S,4R,5S)-2-amino-4,5-dihydroxy-6-oxoheptanoic acid

Description: The molecule is a ketoaldonic acid derivative derivative that is a seven-membered ketoaldonic acid having an amino substituent at the 2-position and the 3- and 7-positions deoxygenated. It is a tautomer of a 2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid zwitterion.

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

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

InChI: InChI=1S/C7H13NO5/c1-3(9)6(11)5(10)2-4(8)7(12)13/h4-6,10-11H,2,8H2,1H3,(H,12,13)/t4-,5+,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -4.5