ChemSpider 2D Image | 4-Amino-1-(2-deoxy-2-fluoro-alpha-D-ribofuranosyl)-5-methyl-2(1H)-pyrimidinone | C10H14FN3O4

4-Amino-1-(2-deoxy-2-fluoro-α-D-ribofuranosyl)-5-methyl-2(1H)-pyrimidinone

  • Molecular FormulaC10H14FN3O4
  • Average mass259.234 Da
  • Monoisotopic mass259.096832 Da
  • ChemSpider ID25996261

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-α-D-ribofuranosyl)-5-methyl- [ACD/Index Name]
4-Amino-1-(2-deoxy-2-fluoro-α-D-ribofuranosyl)-5-methyl-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(2-désoxy-2-fluoro-α-D-ribofuranosyl)-5-méthyl-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-Amino-1-(2-desoxy-2-fluor-α-D-ribofuranosyl)-5-methyl-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-amino-1-[(2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

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

Density: 1.7±0.1 g/cm3
Boiling Point: 495.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 253.4±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 56.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.67
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.95
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.32
Polar Surface Area: 108 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 63.1±7.0 dyne/cm
Molar Volume: 149.3±7.0 cm3

Click to predict properties on the Chemicalize site


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