Structure database (LMSD)

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LM IDLMPR0102060019
Common Name(R,R)-chrysanthemyl diphosphate
Systematic Name[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methyl trihydrogen
diphosphate
Synonyms-
Exact Mass
314.0684 (neutral)    Calculate m/z:
FormulaC10H20O7P2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Cyclopropane and cyclobutane monoterpenoids [PR010206]
PubChem CID24883448
CHEBI ID50273
InChIKeyAORLUAKWVIEOLL-RKDXNWHRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H20O7P2/c1-7(2)5-8-9(10(8,3)4)6-16-19(14,15)17-18(11,12)13/h5,8-9H,6
H2,1-4H3,(H,14,15)(H2,11,12,13)/t8-,9-/m1/s1
SMILESC1(C)(C)[C@H](/C=C(\C)/C)[C@H]1COP(O)(=O)OP(O)(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings1Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
267.75Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP3.25Molar
Refractivity
69.18