Molecule ID: 57339264

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

Description: The molecule is an organic cation obtained by protonation of the amino group of 3-amino-2,3-dideoxy-scyllo-inosose; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a 3-amino-2,3-dideoxy-scyllo-inosose.

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

SELFIES: [NH3+1][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/p+1/t2-,4+,5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: -3.0