Molecule ID: 439590

IUPAC Name: (1S,3R,4S,6R)-4,6-diaminocyclohexane-1,2,3,5-tetrol

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. It derives from a scyllo-inositol.

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

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

InChI: InChI=1S/C6H14N2O4/c7-1-3(9)2(8)5(11)6(12)4(1)10/h1-6,9-12H,7-8H2/t1-,2+,3?,4+,5-,6?

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: -4.2