Molecule ID: 647

IUPAC Name: 3-methylbut-2-enyl phosphono hydrogen phosphate

Description: The molecule is a prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. It has a role as an epitope, a phosphoantigen, an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a prenyl diphosphate(3-).

SMILES: CC(C)=CCOP(=O)(O)OP(=O)(O)O

SELFIES: [C][C][Branch1][C][C][=C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -1.1