Molecule ID: 86583470

IUPAC Name: [[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate

Description: The molecule is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of (2E,6E,10E)-omega-hydroxyfarnesyl diphosphate; major species at pH 7.3. It is a conjugate base of a (2E,6E,10E)-omega-hydroxyfarnesyl diphosphate.

SMILES: C/C(=C\CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])CO

SELFIES: [C][/C][=Branch2][Ring2][C][=C][\C][C][/C][Branch1][C][C][=C][/C][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][C][O]

InChI: InChI=1S/C15H28O8P2/c1-13(7-5-9-15(3)12-16)6-4-8-14(2)10-11-22-25(20,21)23-24(17,18)19/h6,9-10,16H,4-5,7-8,11-12H2,1-3H3,(H,20,21)(H2,17,18,19)/p-3/b13-6+,14-10+,15-9+

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: 1.1