Molecule ID: 15983957

IUPAC Name: [3-methylbut-3-enoxy(oxido)phosphoryl] phosphate

Description: The molecule is an organophosphate oxoanion that is the trianion of isopentenyl diphosphate arising from deprotonation of the three OH groups of the diphosphate. It has a role as an epitope, a phosphoantigen, a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of an isopentenyl diphosphate.

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-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

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)/p-3

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: -1.2