Structure Database (LMSD)

Common Name
undecaprenyl phosphate
Systematic Name
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E,42-undecaen-1-yl phosphate
Synonyms
LM ID
LMPR03020001
Status
Active
Exact Mass
Calculate m/z
846.665498
Formula



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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)
UFPHFKCTOZIAFY-NTDVEAECSA-N
InChi (Click to copy)
InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/b46-25+,47-27+,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-
SMILES (Click to copy)
C/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C\CC/C(/C)=C\CC/C(=C\CC/C(/C)=C\CC/C(/C)=C\CC/C(=C\CC/C(/C)=C\CC/C(/C)=C\COP(O)(=O)O)/C)/C

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 60
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 986.01
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 18.95
Molar Refractivity 267.55

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Created at
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Updated at
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