ChemSpider 2D Image | 1-[(4xi)-2-Deoxy-D-glycero-pentofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C10H13N5O3

1-[(4ξ)-2-Deoxy-D-glycero-pentofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC10H13N5O3
  • Average mass251.242 Da
  • Monoisotopic mass251.101837 Da
  • ChemSpider ID30650227

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1-[(4ξ)-2-Deoxy-D-glycero-pentofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-[(4ξ)-2-deoxy-D-glycero-pentofuranosyl]- [ACD/Index 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: 599.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.2±30.1 °C
Index of Refraction: 1.863
Molar Refractivity: 59.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.16
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.38
Polar Surface Area: 119 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 93.7±7.0 dyne/cm
Molar Volume: 130.9±7.0 cm3

Click to predict properties on the Chemicalize site


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