ChemSpider 2D Image | {5-[6-Amino-8-(dimethylamino)-9H-purin-9-yl]-3-oxotetrahydro-2-furanyl}methyl dihydrogen phosphate | C12H17N6O6P

{5-[6-Amino-8-(dimethylamino)-9H-purin-9-yl]-3-oxotetrahydro-2-furanyl}methyl dihydrogen phosphate

  • Molecular FormulaC12H17N6O6P
  • Average mass372.274 Da
  • Monoisotopic mass372.094727 Da
  • ChemSpider ID95558435

More details:

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

{5-[6-Amino-8-(dimethylamino)-9H-purin-9-yl]-3-oxotetrahydro-2-furanyl}methyl dihydrogen phosphate [ACD/IUPAC Name]
{5-[6-Amino-8-(dimethylamino)-9H-purin-9-yl]-3-oxotetrahydro-2-furanyl}methyldihydrogenphosphat [German] [ACD/IUPAC Name]
3(2H)-Furanone, 5-[6-amino-8-(dimethylamino)-9H-purin-9-yl]dihydro-2-[(phosphonooxy)methyl]- [ACD/Index Name]
Dihydrogénophosphate de {5-[6-amino-8-(diméthylamino)-9H-purin-9-yl]-3-oxotétrahydro-2-furanyl}méthyle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 713.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.4±35.7 °C
Index of Refraction: 1.788
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -5.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 96.2±7.0 dyne/cm
Molar Volume: 193.6±7.0 cm3

Click to predict properties on the Chemicalize site


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