Structure database (LMSD)

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LM IDLMPR03030011
Common NameDecaprenyl diphosphate
Systematic Name3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,
34E,38-decaen-1-yl diphosphate
SynonymsDecaprenyl pyrophosphate; ω,E, octa-Z-decaprenyl phosphate
Exact Mass
858.5692 (neutral)    Calculate m/z:
FormulaC50H84O7P2
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenol diphosphates [PR0303]
PubChem CID45479374
InChIKeyFSCYHDCTHRVSKN-DJNGBRKISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-4
5(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-4
0-56-59(54,55)57-58(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,3
0,32,34,36,38,40H2,1-11H3,(H,54,55)(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46
-31-,47-33-,48-35-,49-37-,50-39-
SMILESC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C
(/C)=C\CC/C(/C)=C\CC/C(/C)=C\COP(O)(=O)OP(O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms59Rings0Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
948.35Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP17.51Molar
Refractivity
255.33