Molecule ID: 1195

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

Description: The molecule is a prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent. It has a role as an epitope, a phosphoantigen, an antioxidant, an antigen, an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of an isopentenyl diphosphate(3-).

SMILES: C=C(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/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -0.9