ChemSpider 2D Image | 6-Amino-4-oxo-1-(D-ribofuranosyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile | C11H12N6O5

6-Amino-4-oxo-1-(D-ribofuranosyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile

  • Molecular FormulaC11H12N6O5
  • Average mass308.250 Da
  • Monoisotopic mass308.086914 Da
  • ChemSpider ID24655398

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine-3-carbonitrile, 6-amino-4-hydroxy-1-D-ribofuranosyl- [ACD/Index Name]
6-Amino-4-oxo-1-(D-ribofuranosyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-carbonitril [German] [ACD/IUPAC Name]
6-Amino-4-oxo-1-(D-ribofuranosyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile [ACD/IUPAC Name]
6-Amino-4-oxo-1-(D-ribofuranosyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 834.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 458.4±37.1 °C
Index of Refraction: 1.961
Molar Refractivity: 67.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -2.66
ACD/LogD (pH 5.5): -3.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 126.9±7.0 dyne/cm
Molar Volume: 138.3±7.0 cm3

Click to predict properties on the Chemicalize site


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