ChemSpider 2D Image | 3-(beta-L-Xylofuranosyl)-3,4,6,7-tetrahydroimidazo[4,5-d][1,3]diazepine-5,8-dione | C11H14N4O6

3-(β-L-Xylofuranosyl)-3,4,6,7-tetrahydroimidazo[4,5-d][1,3]diazepine-5,8-dione

  • Molecular FormulaC11H14N4O6
  • Average mass298.252 Da
  • Monoisotopic mass298.091339 Da
  • ChemSpider ID62478930

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-(β-L-Xylofuranosyl)-3,4,6,7-tetrahydroimidazo[4,5-d][1,3]diazepin-5,8-dion [German] [ACD/IUPAC Name]
3-(β-L-Xylofuranosyl)-3,4,6,7-tetrahydroimidazo[4,5-d][1,3]diazepine-5,8-dione [ACD/IUPAC Name]
3-(β-L-Xylofuranosyl)-3,4,6,7-tétrahydroimidazo[4,5-d][1,3]diazépine-5,8-dione [French] [ACD/IUPAC Name]
Imidazo[4,5-d][1,3]diazepine-5,8-dione, 3,4,6,7-tetrahydro-3-β-L-xylofuranosyl- [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: 715.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.5±32.9 °C
Index of Refraction: 1.867
Molar Refractivity: 64.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.10
Polar Surface Area: 146 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 105.8±7.0 dyne/cm
Molar Volume: 142.0±7.0 cm3

Click to predict properties on the Chemicalize site


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