Molecule ID: 440281

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

Description: The molecule is a derivative of scyllo-inositol having a guanidino group in place of the 1-hydroxy group. It derives from a scyllo-inositol. It is a conjugate base of a 1-guanidiniumyl-1-deoxy-scyllo-inositol(1+).

SMILES: N=C(N)NC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O

SELFIES: [N][=C][Branch1][C][N][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)/t1?,2-,3+,4+,5-,6?

Molecular Properties:
- Polar Surface Area: 166.0 Ų
- LogP: -4.6