Molecule ID: 46173947

IUPAC Name: (2R,3S,4R,5S)-5-amino-2,3,4-trihydroxycyclohexan-1-one

Description: The molecule is a trihydroxycyclohexanone that is cyclohexanone having three hydroxy groups located at positions 2, 3 and 4 as well as an amino group at position 5 (the 2S,3R,4S,5R-diastereomer). It is a trihydroxycyclohexanone and a primary amino compound. It derives from a scyllo-inositol. It is a conjugate base of a 3-ammonio-2,3-dideoxy-scyllo-inosose(1+).

SMILES: N[C@H]1CC(=O)[C@H](O)[C@@H](O)[C@@H]1O

SELFIES: [N][C@H1][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O]

InChI: InChI=1S/C6H11NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4-6,9-11H,1,7H2/t2-,4+,5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: -3.0