Structure Database (LMSD)

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
Status
Active
Exact Mass
Calculate m/z
314.068431
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)
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
CHEBI ID
PubChem CID

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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Updated at
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