ChemSpider 2D Image | 5-Methyl-1-(5-O-phosphono-alpha-L-arabinofuranosyl)-1H-benzimidazole | C13H17N2O7P

5-Methyl-1-(5-O-phosphono-α-L-arabinofuranosyl)-1H-benzimidazole

  • Molecular FormulaC13H17N2O7P
  • Average mass344.257 Da
  • Monoisotopic mass344.077332 Da
  • ChemSpider ID26329834

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Benzimidazole, 5-methyl-1-(5-O-phosphono-α-L-arabinofuranosyl)- [ACD/Index Name]
5-Methyl-1-(5-O-phosphono-α-L-arabinofuranosyl)-1H-benzimidazol [German] [ACD/IUPAC Name]
5-Methyl-1-(5-O-phosphono-α-L-arabinofuranosyl)-1H-benzimidazole [ACD/IUPAC Name]
5-Méthyl-1-(5-O-phosphono-α-L-arabinofuranosyl)-1H-benzimidazole [French] [ACD/IUPAC Name]
MONO-[3,4-DIHYDROXY-5-(5-METHYL-BENZOIMIDAZOL-1-YL)-TETRAHYDOR-FURAN-2-YLMETHYL] ESTER
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(5-methyl-1,3-benzodiazol-1-yl)oxolan-2-yl]methoxyphosphonic acid
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(5-methyl-1H-1,3-benzodiazol-1-yl)oxolan-2-yl]methoxy}phosphonic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 684.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.6±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 75.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): -4.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 83.7±7.0 dyne/cm
Molar Volume: 190.8±7.0 cm3

Click to predict properties on the Chemicalize site


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