Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02808"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Trifluorofurnesyl Diphosphate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.
Sesquiterpenes
Organic Compounds
Lipids
Prenol Lipids
Sesquiterpenes
Organic Pyrophosphates
Isoprenoid Phosphates
Organophosphate Esters
Organic Phosphoric Acids
Polyamines
Organofluorides
Alkyl Fluorides
organic phosphate
phosphoric acid ester
polyamine
organofluoride
organohalogen
alkyl halide
alkyl fluoride
logP
2.95
ALOGPS
logS
-3.7
ALOGPS
Water Solubility
8.96e-02 g/l
ALOGPS
logP
3.98
ChemAxon
IUPAC Name
[({[(2Z,6E)-7,11-dimethyl-3-(trifluoromethyl)dodeca-2,6,10-trien-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid
ChemAxon
Traditional IUPAC Name
{[(2Z,6E)-7,11-dimethyl-3-(trifluoromethyl)dodeca-2,6,10-trien-1-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid
ChemAxon
Molecular Weight
436.2975
ChemAxon
Monoisotopic Weight
436.102760793
ChemAxon
SMILES
CC(C)=CCC\C(C)=C\CC\C(=C\CO[P@@](=O)(O)OP(O)(O)=O)C(F)(F)F
ChemAxon
Molecular Formula
C15H25F3O7P2
ChemAxon
InChI
InChI=1S/C15H25F3O7P2/c1-12(2)6-4-7-13(3)8-5-9-14(15(16,17)18)10-11-24-27(22,23)25-26(19,20)21/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,22,23)(H2,19,20,21)/b13-8+,14-10-
ChemAxon
InChIKey
InChIKey=PXLMLAFPAPGGKK-GVCYOOEQSA-N
ChemAxon
Polar Surface Area (PSA)
113.29
ChemAxon
Refractivity
97.66
ChemAxon
Polarizability
38.8
ChemAxon
Rotatable Bond Count
12
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.77
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
449547
PubChem Substance
46504774
PDB
FFF
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object