Structure Database (LMSD)

Common Name
all-trans decaprenyl phosphate
Systematic Name
3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2E,6E,10E,14E,18E,22E,26E,30E,34E,38-decaen-1-yl phosphate
Synonyms
  • Decaprenol phosphate
LM ID
LMPR03020007
Status
Active
Exact Mass
Calculate m/z
778.602898
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)
XBEJBEIXLWRYBT-CMVHWAPMSA-N
InChi (Click to copy)
InChI=1S/C50H83O4P/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(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)39-40-54-55(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H2,51,52,53)/b42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+,49-37+,50-39+
SMILES (Click to copy)
P(O)(O)(OC/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)/C)=O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 55
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 902.15
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 17.23
Molar Refractivity 244.56

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Created at
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Updated at
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