Molecule ID: 45480545

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

Description: The molecule is a myo-inositol monophosphate derivative that is 1D-myo-inositol substituted at position 1 by an sn-glycero-3-phospho group. It has a role as an Escherichia coli metabolite. It is a member of sn-glycerol 3-phosphates and a myo-inositol monophosphate derivative. It is a conjugate acid of a 1-(sn-glycero-3-O-phosphonato)-1D-myo-inositol.

SMILES: O=P(O)(OC[C@H](O)CO)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O

SELFIES: [O][=P][Branch1][C][O][Branch1][=Branch2][O][C][C@H1][Branch1][C][O][C][O][O][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/C9H19O11P/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16/h3-16H,1-2H2,(H,17,18)/t3-,4?,5-,6+,7-,8-,9?/m1/s1

Molecular Properties:
- Polar Surface Area: 197.0 Ų
- LogP: -5.6