ChemSpider 2D Image | N-(2-Phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) | C18H24N5O13P3

N-(2-Phenylethyl)adenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC18H24N5O13P3
  • Average mass611.330 Da
  • Monoisotopic mass611.058350 Da
  • ChemSpider ID9680197

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Adenosine, N-(2-phenylethyl)-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
N-(2-Phenylethyl)adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
N-(2-Phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
N-(2-Phényléthyl)adénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
181705-62-4 [RN]
B44
n6-(2-phenylethyl)adenosine-5'-O-triphosphate

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

Density: 2.0±0.1 g/cm3
Boiling Point: 977.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.2±3.0 kJ/mol
Flash Point: 544.8±37.1 °C
Index of Refraction: 1.775
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -8.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 117.4±7.0 dyne/cm
Molar Volume: 300.1±7.0 cm3

Click to predict properties on the Chemicalize site


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