Molecule ID: 439769

IUPAC Name: 2-[(1R,2S,4R,5S)-5-(diaminomethylideneamino)-2,3,4-trihydroxycyclohexyl]guanidine

Description: The molecule is an amino cyclitol that is streptidine in which the hydroxy group between the two guanidino groups is replaced by hydrogen. It is an amino cyclitol, a member of guanidines and a triol. It derives from a streptidine.

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

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

InChI: InChI=1S/C8H18N6O3/c9-7(10)13-2-1-3(14-8(11)12)5(16)6(17)4(2)15/h2-6,15-17H,1H2,(H4,9,10,13)(H4,11,12,14)/t2-,3+,4+,5-,6?

Molecular Properties:
- Polar Surface Area: 190.0 Ų
- LogP: -4.5