ChemSpider 2D Image | Methyl 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxylate | C9H13N3O6

Methyl 1-(β-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxylate

  • Molecular FormulaC9H13N3O6
  • Average mass259.216 Da
  • Monoisotopic mass259.080444 Da
  • ChemSpider ID31047172

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(β-D-Ribofuranosyl)-1H-1,2,4-triazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carboxylic acid, 1-β-D-ribofuranosyl-, methyl ester [ACD/Index Name]
Methyl 1-(β-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxylate [ACD/IUPAC Name]
Methyl-1-(β-D-ribofuranosyl)-1H-1,2,4-triazol-3-carboxylat [German] [ACD/IUPAC Name]
1-?-D-Ribofuranosyl-1,2,4-triazole-3-carboxylic Acid Methyl Ester
1-b-D-Ribofuranosyl-1,2,4-triazole-3-carboxylic Acid Methyl Ester
38934-69-9 [RN]
Methyl 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-1,2,4-triazole-3-carboxylate
Methyl1-(b-D-ribofuranosyl)-1,2,4-triazole-3-carboxylate
Methyl1-pentofuranosyl-1H-1,2,4-triazole-3-carboxylate
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 561.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.8±3.0 kJ/mol
    Flash Point: 293.3±32.9 °C
    Index of Refraction: 1.702
    Molar Refractivity: 55.0±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -1.29
    ACD/LogD (pH 5.5): -1.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.99
    ACD/LogD (pH 7.4): -1.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.99
    Polar Surface Area: 127 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 76.1±7.0 dyne/cm
    Molar Volume: 142.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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