ChemSpider 2D Image | 1-(3-O-Methyl-5-O-phosphono-beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxylic acid | C9H14N3O9P

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

  • Molecular FormulaC9H14N3O9P
  • Average mass339.196 Da
  • Monoisotopic mass339.046753 Da
  • ChemSpider ID34229517
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-(3-O-Methyl-5-O-phosphono-β-D-ribofuranosyl)-1H-1,2,4-triazol-3-carbonsäure [German] [ACD/IUPAC Name]
1-(3-O-Methyl-5-O-phosphono-β-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxylic acid [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carboxylic acid, 1-(3-O-methyl-5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]
Acide 1-(3-O-méthyl-5-O-phosphono-β-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxylique [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: 733.9±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: 397.7±35.7 °C
Index of Refraction: 1.725
Molar Refractivity: 64.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -6.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 104.0±7.0 dyne/cm
Molar Volume: 163.5±7.0 cm3

Click to predict properties on the Chemicalize site






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