ChemSpider 2D Image | 4-Amino-1-(2-deoxy-2,2-difluoro-beta-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one | C8H10F2N4O4

4-Amino-1-(2-deoxy-2,2-difluoro-β-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one

  • Molecular FormulaC8H10F2N4O4
  • Average mass264.186 Da
  • Monoisotopic mass264.067017 Da
  • ChemSpider ID34542824

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-2,2-difluoro-β-D-erythro-pentofuranosyl)- [ACD/Index Name]
4-Amino-1-(2-deoxy-2,2-difluoro-β-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one [ACD/IUPAC Name]
4-Amino-1-(2-désoxy-2,2-difluoro-β-D-érythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one [French] [ACD/IUPAC Name]
4-Amino-1-(2-desoxy-2,2-difluor-β-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-on [German] [ACD/IUPAC Name]
NUC013

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

Density: 2.0±0.1 g/cm3
Boiling Point: 470.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 238.5±31.5 °C
Index of Refraction: 1.698
Molar Refractivity: 50.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.68
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.68
Polar Surface Area: 121 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 75.4±7.0 dyne/cm
Molar Volume: 131.0±7.0 cm3

Click to predict properties on the Chemicalize site


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