ChemSpider 2D Image | N,N-Dimethyladenosine 5'-(tetrahydrogen triphosphate) | C12H20N5O13P3

N,N-Dimethyladenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC12H20N5O13P3
  • Average mass535.234 Da
  • Monoisotopic mass535.027039 Da
  • ChemSpider ID58133162

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Adenosine, N,N-dimethyl-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
N,N-Dimethyladenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
N,N-Dimethyladenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
N,N-Diméthyladénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 889.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.5±3.0 kJ/mol
Flash Point: 491.9±37.1 °C
Index of Refraction: 1.794
Molar Refractivity: 100.7±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.61
ACD/LogD (pH 5.5): -10.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 137.2±7.0 dyne/cm
Molar Volume: 236.8±7.0 cm3

Click to predict properties on the Chemicalize site


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