ChemSpider 2D Image | 4-Nitro-1-[(2xi)-beta-D-threo-pentofuranosyl]-1H-pyrazole-3-carboxamide | C9H12N4O7

4-Nitro-1-[(2ξ)-β-D-threo-pentofuranosyl]-1H-pyrazole-3-carboxamide

  • Molecular FormulaC9H12N4O7
  • Average mass288.214 Da
  • Monoisotopic mass288.070587 Da
  • ChemSpider ID98608881

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Pyrazole-3-carboxamide, 4-nitro-1-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
4-Nitro-1-[(2ξ)-β-D-threo-pentofuranosyl]-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
4-Nitro-1-[(2ξ)-β-D-threo-pentofuranosyl]-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
4-Nitro-1-[(2ξ)-β-D-thréo-pentofuranosyl]-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC 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: 657.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.6±31.5 °C
Index of Refraction: 1.821
Molar Refractivity: 58.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.29
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.34
Polar Surface Area: 177 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 117.5±7.0 dyne/cm
Molar Volume: 133.8±7.0 cm3

Click to predict properties on the Chemicalize site


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