Molecule ID: 57339265

IUPAC Name: [(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium

Description: The molecule is an organic cation obtained by deprotonation of the amino group of 2-deoxy-scyllo-inosamine; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a 2-deoxy-scyllo-inosamine.

SMILES: [NH3+][C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

SELFIES: [NH3+1][C@H1][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O]

InChI: InChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/p+1/t2-,3+,4+,5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -3.0