ChemSpider 2D Image | Bis({(2R,3S,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}methyl) hydrogen phosphate | C24H33N10O10P

Bis({(2R,3S,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}methyl) hydrogen phosphate

  • Molecular FormulaC24H33N10O10P
  • Average mass652.554 Da
  • Monoisotopic mass652.211853 Da
  • ChemSpider ID167779

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Bis({(2R,3S,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}methyl) hydrogen phosphate [ACD/IUPAC Name]
Bis({(2R,3S,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}methyl)hydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de bis({(2R,3S,4R,5R)-5-[6-(diméthylamino)-9H-purin-9-yl]-3,4-dihydroxytétrahydro-2-furanyl}méthyle) [French] [ACD/IUPAC Name]
2273-75-8 [RN]
Adenosine, N,N-dimethyladenylyl-(3'-5')-N,N-dimethyl-
m(6)(2)Apm(6)(2)A
N(6),N(6)-Dimethyladenylyl(3'-5')N(6),N(6)-dimethyladenosine

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

Density: 1.9±0.1 g/cm3
Boiling Point: 979.0±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: 1.810
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 20
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -4.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 89.4±7.0 dyne/cm
Molar Volume: 344.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement