Molecule ID: 439934

IUPAC Name: [(2S,3R,5S,6R)-3,5-diamino-2,4,6-trihydroxycyclohexyl] dihydrogen phosphate

Description: The molecule is a scyllo-inositol phosphate compound having a phosphate group in the 5-position and amino groups in place of hydroxy groups in the 1- and 3-positions. It derives from a streptamine.

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

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

InChI: InChI=1S/C6H15N2O7P/c7-1-3(9)2(8)5(11)6(4(1)10)15-16(12,13)14/h1-6,9-11H,7-8H2,(H2,12,13,14)/t1-,2+,3?,4+,5-,6?

Molecular Properties:
- Polar Surface Area: 180.0 Ų
- LogP: -7.6