Structure Database (LMSD)

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
LM ID
LMPR0102060019
Formula
C10H20O7P2
Exact Mass
Calculate m/z
314.068431
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Cyclopropane and cyclobutane monoterpenoids [PR010206]

String Representations

InChiKey (Click to copy)
AORLUAKWVIEOLL-RKDXNWHRSA-N
InChi (Click to copy)
InChI=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,6H2,1-4H3,(H,14,15)(H2,11,12,13)/t8-,9-/m1/s1
SMILES (Click to copy)
C1(C)(C)[C@H](/C=C(\C)/C)[C@H]1COP(O)(=O)OP(O)(O)=O

Other Databases

KEGG ID
C18051
CHEBI ID
50273
PubChem CID
24883448

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 267.75
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.25
Molar Refractivity 69.18

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Created at
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Updated at
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