ChemSpider 2D Image | 2'-O-[2-(Methylamino)benzoyl]adenosine 5'-(tetrahydrogen triphosphate) | C18H23N6O14P3

2'-O-[2-(Methylamino)benzoyl]adenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC18H23N6O14P3
  • Average mass640.328 Da
  • Monoisotopic mass640.048523 Da
  • ChemSpider ID116040

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2'-O-[2-(Methylamino)benzoyl]adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2'-O-[2-(Methylamino)benzoyl]adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2'-O-[2-(Méthylamino)benzoyl]adénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2'-[2-(methylamino)benzoate] 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
130799-34-7 [RN]
2/'-O-(N-methylanthraniloyl)ATP
2'-O-(N-Methylanthraniloyl)ATP
Adenosine 5'-(tetrahydrogen triphosphate), 2'-(2-(methylamino)benzoate)

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

Density: 2.1±0.1 g/cm3
Boiling Point: 986.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.7±3.0 kJ/mol
Flash Point: 550.7±37.1 °C
Index of Refraction: 1.793
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.67
ACD/LogD (pH 5.5): -8.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 122.8±7.0 dyne/cm
Molar Volume: 302.4±7.0 cm3

Click to predict properties on the Chemicalize site


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