ChemSpider 2D Image | 1-(2-O-Methyl-5-O-phosphono-beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide | C9H15N4O8P

1-(2-O-Methyl-5-O-phosphono-β-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide

  • Molecular FormulaC9H15N4O8P
  • Average mass338.211 Da
  • Monoisotopic mass338.062744 Da
  • ChemSpider ID34229516

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(2-O-Methyl-5-O-phosphono-β-D-ribofuranosyl)-1H-1,2,4-triazol-3-carboxamid [German] [ACD/IUPAC Name]
1-(2-O-Methyl-5-O-phosphono-β-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide [ACD/IUPAC Name]
1-(2-O-Méthyl-5-O-phosphono-β-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carboxamide, 1-(2-O-methyl-5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index 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: 711.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.3±35.7 °C
Index of Refraction: 1.744
Molar Refractivity: 66.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.23
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): -7.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 106.5±7.0 dyne/cm
Molar Volume: 163.0±7.0 cm3

Click to predict properties on the Chemicalize site


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