Structure Database (LMSD)

Common Name
Isopentenyl pyrophosphate
Systematic Name
3-methylbut-3-enyl pyrophosphate
Synonyms
  • Isopentenyl-diphosphate
  • IPP
LM ID
LMPR01010008
Status
Active
Exact Mass
Calculate m/z
246.005831
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)
NUHSROFQTUXZQQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
SMILES (Click to copy)
O(P(=O)(O)OP(O)(=O)O)CCC(C)=C

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 193.61
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 1.98
Molar Refractivity 48.42

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Created at
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Updated at
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