Molecule ID: 14556929

IUPAC Name: phosphono [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] hydrogen phosphate

Description: The molecule is (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate in which both stereocentres have (R)-configuration. It derives from a phytol. It is a conjugate acid of a phytyl diphosphate(3-).

SMILES: C/C(=C\COP(=O)(O)OP(=O)(O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

SELFIES: [C][/C][=Branch2][Ring1][Ring2][=C][\C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][C@H1][Branch1][C][C][C][C][C][C@H1][Branch1][C][C][C][C][C][C][Branch1][C][C][C]

InChI: InChI=1S/C20H42O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b20-15+/t18-,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 6.0