Structure Database (LMSD)
Common Name
2-trans,6-cis-farnesyl diphosphate
Systematic Name
(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
Synonyms
3D model of 2-trans,6-cis-farnesyl 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)
VWFJDQUYCIWHTN-GNESMGCMSA-N
InChi (Click to copy)
InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11+
SMILES (Click to copy)
C(=C(/C)\CC/C=C(/C)\CC/C=C(/C)\C)/COP(O)(=O)OP(O)(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
361.33
Topological Polar Surface Area
113.29
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
5.43
Molar Refractivity
94.40
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Created at
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Updated at
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