Molecule ID: 25202575

IUPAC Name: diaminomethylidene-[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium

Description: The molecule is conjugate acid of 1-guanidino-1-deoxy-scyllo-inositol arising from protonation of the guanidino groups; major species at pH 7.3. It is a conjugate acid of a 1-guanidino-1-deoxy-scyllo-inositol.

SMILES: NC(=[NH2+])NC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O

SELFIES: [N][C][=Branch1][C][=NH2+1][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]

InChI: InChI=1S/C7H15N3O5/c8-7(9)10-1-2(11)4(13)6(15)5(14)3(1)12/h1-6,11-15H,(H4,8,9,10)/p+1/t1?,2-,3+,4+,5-,6?

Molecular Properties:
- Polar Surface Area: 167.0 Ų
- LogP: -4.6