ChemSpider 2D Image | N-(4-Fluorobenzoyl)adenosine 5'-(tetrahydrogen triphosphate) | C17H19FN5O14P3

N-(4-Fluorobenzoyl)adenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC17H19FN5O14P3
  • Average mass629.278 Da
  • Monoisotopic mass629.012512 Da
  • ChemSpider ID166270

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Adenosine, N-(4-fluorobenzoyl)-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
N-(4-Fluorbenzoyl)adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
N-(4-Fluorobenzoyl)adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
N-(4-Fluorobenzoyl)adénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
4-Fluorobenzoyladenosine 5'-triphosphate
58083-99-1 [RN]
Adenosine 5'-(tetrahydrogen triphosphate), N-(4-fluorobenzoyl)-
para-Fluorobenzoyladenosine 5'-triphosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.799
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 19
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.40
ACD/LogD (pH 5.5): -9.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 127.6±7.0 dyne/cm
Molar Volume: 284.1±7.0 cm3

Click to predict properties on the Chemicalize site


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