Structure Database (LMSD)
Common Name
chrysanthemyl diphosphate
Systematic Name
[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methyl trihydrogen diphosphate
Synonyms
3D model of chrysanthemyl diphosphate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
AORLUAKWVIEOLL-UHFFFAOYSA-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)
SMILES (Click to copy)
C1(C)(C)C(/C=C(\C)/C)C1COP(O)(=O)OP(O)(O)=O
Other Databases
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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