ChemSpider 2D Image | NPE-caged-ATP | C18H23N6O15P3

NPE-caged-ATP

  • Molecular FormulaC18H23N6O15P3
  • Average mass656.328 Da
  • Monoisotopic mass656.043396 Da
  • ChemSpider ID110355

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

5'-O-(Hydroxy{[hydroxy({hydroxy[1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adenosin [German] [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy({hydroxy[1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adenosine [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy({hydroxy[1-(2-nitrophényl)éthoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adénosine [French] [ACD/IUPAC Name]
67030-27-7 [RN]
Adenosine, 5'-O-[hydroxy[[hydroxy[[hydroxy[1-(2-nitrophenyl)ethoxy]phosphinyl]oxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
NPE-caged-ATP
Adenosine 5'-(tetrahydrogen triphosphate), P''-(1-(2-nitrophenyl)ethyl) ester
Adenosine5'-(tetrahydrogen triphosphate), P''-[1-(2-nitrophenyl)ethyl] ester (9CI)
Adenosine5'-(tetrahydrogen triphosphate),p''-[1-(2-nitrophenyl)ethyl]ester(9ci)
Adenosine-5'-triphosphate P(3)-1-(2-nitrophenyl)ethyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.1±0.1 g/cm3
Boiling Point: 979.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.5±3.0 kJ/mol
Flash Point: 545.9±37.1 °C
Index of Refraction: 1.796
Molar Refractivity: 130.1±0.5 cm3
#H bond acceptors: 21
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -8.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 343 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 127.2±7.0 dyne/cm
Molar Volume: 305.7±7.0 cm3

Click to predict properties on the Chemicalize site


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