ChemSpider 2D Image | 3'-O-[5-(Dimethylamino)-1-naphthoyl]adenosine 5'-(trihydrogen diphosphate) | C23H26N6O11P2

3'-O-[5-(Dimethylamino)-1-naphthoyl]adenosine 5'-(trihydrogen diphosphate)

  • Molecular FormulaC23H26N6O11P2
  • Average mass624.434 Da
  • Monoisotopic mass624.113464 Da
  • ChemSpider ID168745

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-O-[5-(Dimethylamino)-1-naphthoyl]adenosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
3'-O-[5-(Dimethylamino)-1-naphthoyl]adenosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
3'-O-[5-(Diméthylamino)-1-naphtoyl]adénosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-O-[[5-(dimethylamino)-1-naphthalenyl]carbonyl]-, 5'-(trihydrogen diphosphate) [ACD/Index Name]
(5-(Dimethylamino-1-naphthoyl))adenosine diphosphate
72947-52-5 [RN]
Adenosine 5'-(trihydrogen diphosphate), 3'-(5-(dimethylamino)-1-naphthalenecarboxylate)
Dan-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: 936.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.7±3.0 kJ/mol
Flash Point: 520.0±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: 0.79
ACD/LogD (pH 5.5): -5.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.46
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

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