Molecule ID: 439467

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

Description: The molecule is a scyllo-inositol phosphate having a monophosphate group at the 4-position as well as the hydroxy group at the 1-position replaced by an amino group. It is a conjugate acid of a 1-ammonio-1-deoxy-scyllo-inositol 4-phosphate(1-).

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

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

InChI: InChI=1S/C6H14NO8P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-6,8-11H,7H2,(H2,12,13,14)/t1?,2-,3+,4+,5-,6?

Molecular Properties:
- Polar Surface Area: 174.0 Ų
- LogP: -7.3