Molecule ID: 203443

IUPAC Name: (1S,3R,4S,6R)-4,6-diaminocyclohexane-1,2,3-triol

Description: The molecule is an amino cyclitol consisting of scyllo-inositol with the hydroxy groups at positions 1 and 3 replaced by unsubstituted amino groups and that at position 2 replaced by hydrogen. It has a role as an antibacterial agent. It derives from a streptamine. It is a conjugate base of a 2-deoxystreptamine(1+).

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

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

InChI: InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6?

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -3.2