ChemSpider 2D Image | 5'-O-[Hydroxy({hydroxy[(2-nitrobenzyl)oxy]phosphoryl}oxy)phosphoryl]adenosine | C17H20N6O12P2

5'-O-[Hydroxy({hydroxy[(2-nitrobenzyl)oxy]phosphoryl}oxy)phosphoryl]adenosine

  • Molecular FormulaC17H20N6O12P2
  • Average mass562.321 Da
  • Monoisotopic mass562.061462 Da
  • ChemSpider ID166554

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[Hydroxy({hydroxy[(2-nitrobenzyl)oxy]phosphoryl}oxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[Hydroxy({hydroxy[(2-nitrobenzyl)oxy]phosphoryl}oxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[Hydroxy({hydroxy[(2-nitrobenzyl)oxy]phosphoryl}oxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[[hydroxy[(2-nitrophenyl)methoxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
67030-28-8 [RN]
Adenosine 5'-(trihydrogen diphosphate), P'-((2-nitrophenyl)methyl) ester
P1-Adenosine 5'-P2-2-nitrobenzyl pyrophosphate
P1-Adenosine 5'-P2-o-nitrobenzyl pyrophosphate

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

Density: 2.1±0.1 g/cm3
Boiling Point: 896.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.5±3.0 kJ/mol
Flash Point: 496.0±37.1 °C
Index of Refraction: 1.806
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -6.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 287 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 120.8±7.0 dyne/cm
Molar Volume: 269.3±7.0 cm3

Click to predict properties on the Chemicalize site


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