ChemSpider 2D Image | 3-Ethynyl-1-{5-O-[hydroxy(oxido)phosphoranyl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C12H14N5O6P

3-Ethynyl-1-{5-O-[hydroxy(oxido)phosphoranyl]-β-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC12H14N5O6P
  • Average mass355.243 Da
  • Monoisotopic mass355.068176 Da
  • ChemSpider ID35035684
  • 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-(hydroxyphosphinyl)-β-D-ribofuranosyl]- [ACD/Index Name]
3-Ethinyl-1-{5-O-[hydroxy(oxido)phosphoranyl]-β-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-Ethynyl-1-{5-O-[hydroxy(oxido)phosphoranyl]-β-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-Éthynyl-1-{5-O-[hydroxy(oxydo)phosphoranyl]-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

Density:
Boiling Point: 733.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 397.5±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -4.51
ACD/LogD (pH 5.5): -7.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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