Molecule ID: 118796935

IUPAC Name: [(1R,2R,3S,4S,5S)-5-amino-2,3,4-trihydroxycyclohexyl]methyl dihydrogen phosphate

Description: The molecule is a cyclitol phosphate that is validamine carrying a single monophosphate substituent at position 7. It is an amino cyclitol and a cyclitol phosphate. It derives from a validamine. It is a conjugate acid of a validamine 7-phosphate(1-).

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

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

InChI: InChI=1S/C7H16NO7P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-7,9-11H,1-2,8H2,(H2,12,13,14)/t3-,4+,5-,6+,7+/m1/s1

Molecular Properties:
- Polar Surface Area: 154.0 Ų
- LogP: -6.2