Molecule ID: 86583471

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

Description: The molecule is a terpenyl phosphate obtained by hydroxylation of one of the terminal methyl groups of (2E,6E)-farnesyl diphosphate It is a polyprenyl diphosphate, a terpenyl phosphate, an olefinic compound and a primary alcohol. It derives from a 2-trans,6-trans-farnesyl diphosphate. It is a conjugate acid of a (2E,6E,10E)-omega-hydroxyfarnesyl diphosphate(3-).

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][O][P][=Branch1][C][=O][Branch1][C][O][O][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)/b13-6+,14-10+,15-9+

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: 1.3