Molecule ID: 5459885

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

Description: The molecule is a derivative of scyllo-inositol where the 1- and 3-hydroxy groups are replaced by guanidino and amino groups respectively. It derives from a scyllo-inositol. It is a conjugate base of a 1D-3-ammmonio-1-guanidiniumyl-1,3-dideoxy-scyllo-inositol(2+).

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

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

InChI: InChI=1S/C7H16N4O4/c8-1-3(12)2(11-7(9)10)5(14)6(15)4(1)13/h1-6,12-15H,8H2,(H4,9,10,11)/t1-,2+,3-,4+,5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 171.0 Ų
- LogP: -4.9