Structure Database (LMSD)

Common Name
phytyl diphosphate
Systematic Name
(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl trihydrogen diphosphate
Synonyms
  • Phytyl diphosphate
LM ID
LMPR0104010017
Status
Active
Exact Mass
Calculate m/z
456.240581
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ITPLBNCCPZSWEU-HMMYKYKNSA-N
InChi (Click to copy)
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+
SMILES (Click to copy)
CC(CCCC(CCCC(CCC/C(/C)=C/COP(O)(=O)OP(O)(=O)O)C)C)C

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 453.11
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 7.39
Molar Refractivity 117.46

Admin

Created at
-
Updated at
-