ChemSpider 2D Image | 3-Ethynyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C12H14N5O7P

3-Ethynyl-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC12H14N5O7P
  • Average mass371.243 Da
  • Monoisotopic mass371.063080 Da
  • ChemSpider ID59053636

  • 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-ethynyl-1-(5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]
3-Ethinyl-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-Ethynyl-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-Éthynyl-1-(5-O-phosphono-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: 2.1±0.1 g/cm3
Boiling Point: 786.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 429.2±35.7 °C
Index of Refraction: 1.823
Molar Refractivity: 78.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.43
ACD/LogD (pH 5.5): -6.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 109.6±7.0 dyne/cm
Molar Volume: 180.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement