ChemSpider 2D Image | 3'-O-[5-(Dimethylamino)-1-naphthoyl]adenosine 5'-(dihydrogen phosphate) | C23H25N6O8P

3'-O-[5-(Dimethylamino)-1-naphthoyl]adenosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC23H25N6O8P
  • Average mass544.454 Da
  • Monoisotopic mass544.147156 Da
  • ChemSpider ID9773934

  • 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'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
3'-O-[5-(Dimethylamino)-1-naphthoyl]adenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
3'-O-[5-(Diméthylamino)-1-naphtoyl]adénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-O-[[5-(dimethylamino)-1-naphthalenyl]carbonyl]-, 5'-(dihydrogen phosphate) [ACD/Index Name]
(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-((phosphonooxy)methyl)tetrahydrofuran-3-yl 5-(dimethylamino)-1-naphthoate
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] 5-(dimethylamino)naphthalene-1-carboxylate
72947-53-6 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 864.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 476.4±37.1 °C
Index of Refraction: 1.755
Molar Refractivity: 129.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.02
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 79.7±7.0 dyne/cm
Molar Volume: 316.7±7.0 cm3

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