Structure Database (LMSD)

P OH OH O O P O HO O
Common Name
(R)-lavandulyl diphosphate
Systematic Name
(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl trihydrogen diphosphate
Synonyms
  • (2R)-5-methyl-2-(1-methylethenyl)hex-4-en-1-yl trihydrogen diphosphate
LM ID
LMPR0102010017
Formula
C10H20O7P2
Exact Mass
Calculate m/z
314.068431
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Acyclic monoterpenoids [PR010201]

String Representations

InChiKey (Click to copy)
LHLLBECTIHFNGQ-JTQLQIEISA-N
InChi (Click to copy)
InChI=1S/C10H20O7P2/c1-8(2)5-6-10(9(3)4)7-16-19(14,15)17-18(11,12)13/h5,10H,3,6-7H2,1-2,4H3,(H,14,15)(H2,11,12,13)/t10-/m0/s1
SMILES (Click to copy)
C(/C)(\C)=C/C[C@H](C(=C)C)COP(OP(O)(O)=O)(=O)O

References

Other Databases

KEGG ID
C18052
CHEBI ID
50280
PubChem CID
16071112

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 277.47
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.56
Molar Refractivity 71.34

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Created at
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Updated at
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