ChemSpider 2D Image | 5'-O-[{[5-(Dimethylamino)-1-naphthoyl]oxy}(phosphonooxy)phosphoryl]adenosine | C23H26N6O11P2

5'-O-[{[5-(Dimethylamino)-1-naphthoyl]oxy}(phosphonooxy)phosphoryl]adenosine

  • Molecular FormulaC23H26N6O11P2
  • Average mass624.434 Da
  • Monoisotopic mass624.113464 Da
  • ChemSpider ID168899

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

5'-O-[{[5-(Dimethylamino)-1-naphthoyl]oxy}(phosphonooxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[{[5-(Dimethylamino)-1-naphthoyl]oxy}(phosphonooxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[{[5-(Diméthylamino)-1-naphtoyl]oxy}(phosphonooxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[5-(dimethylamino)-1-naphthalenyl]carbonyl]oxy](phosphonooxy)phosphinyl]- [ACD/Index Name]
75352-13-5 [RN]
Adenosine 5'-(trihydrogen diphosphate), P-anhydride with 5-(dimethylamino)-1-naphthalenecarboxylic acid
Pdanadp
α-P-(5-Dimethylaminonaphthoyl-1)-ADP

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

Density: 1.8±0.1 g/cm3
Boiling Point: 913.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.1±3.0 kJ/mol
Flash Point: 506.0±37.1 °C
Index of Refraction: 1.764
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -4.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 262 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 92.8±7.0 dyne/cm
Molar Volume: 338.0±7.0 cm3

Click to predict properties on the Chemicalize site


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