ChemSpider 2D Image | 3-Methoxy-1-(2,3,5-tri-O-benzoyl-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C32H27N5O8

3-Methoxy-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC32H27N5O8
  • Average mass609.586 Da
  • Monoisotopic mass609.185974 Da
  • ChemSpider ID10541171

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-methoxy-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)- [ACD/Index Name]
3-Methoxy-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-Methoxy-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-Méthoxy-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 796.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 435.3±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 159.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 69.87
ACD/KOC (pH 5.5): 716.79
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.51
ACD/KOC (pH 7.4): 754.15
Polar Surface Area: 167 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 420.6±7.0 cm3

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