Molecule ID: 439323

IUPAC Name: 2-[(1S,3R,4S,6R)-3-(diaminomethylideneamino)-2,4,5,6-tetrahydroxycyclohexyl]guanidine

Description: The molecule is an amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups. It has a role as a metabolite. It is a member of guanidines and an amino cyclitol. It derives from a scyllo-inositol.

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

SELFIES: [N][=C][Branch1][C][N][N][C@@H1][C][Branch1][C][O][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/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/t1-,2+,3?,4+,5-,6?

Molecular Properties:
- Polar Surface Area: 210.0 Ų
- LogP: -5.5