Chemical Formula C20H39O7P2

Molecular Weight 453.47 Daltons
Monoisotopic Mass 456.24057672289996 Daltons

BioCyc Id PHYTYL-PYROPHOSPHATE
Synonyms phytyl pyrophosphate
phytyl-PP
SMILES CC(CCC[C@H](CCC[C@H](CCCC(\C)=C/COP([O-])(=O)OP([O-])(=O)[O-])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)/p-3/b20-15+/t18-,19-/m1/s1
InChIKey InChIKey=ITPLBNCCPZSWEU-PYDDKJGSSA-K
Log P 5.8
Topological Polar Surface Area 122.0 Å
Standard Gibbs Free Energy of Formation (ΔfG'°) -22.544844 kcal/mol []

ChEBI 75434
HMDB HMDB11116
Kegg C05427
MetaNetX MNXM903
PubChem 71728454
Seed cpd03214
ZINC ZINC000008219878