ChemSpider 2D Image | 1-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol | C10H13N4O7P

1-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol

  • Molecular FormulaC10H13N4O7P
  • Average mass332.207 Da
  • Monoisotopic mass332.052185 Da
  • ChemSpider ID58994233

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol [ACD/IUPAC Name]
1-(2-Desoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol [German] [ACD/IUPAC Name]
1-(2-Désoxy-5-O-phosphono-β-D-érythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidin-4-ol, 1-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)- [ACD/Index 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: 721.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 390.1±35.7 °C
Index of Refraction: 1.845
Molar Refractivity: 68.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.87
ACD/LogD (pH 5.5): -6.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 122.3±7.0 dyne/cm
Molar Volume: 152.9±7.0 cm3

Click to predict properties on the Chemicalize site


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