ChemSpider 2D Image | 4-Amino-1-(3-deoxy-3-fluoro-beta-D-xylofuranosyl)-2(1H)-pyrimidinone | C9H12FN3O4

4-Amino-1-(3-deoxy-3-fluoro-β-D-xylofuranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC9H12FN3O4
  • Average mass245.208 Da
  • Monoisotopic mass245.081177 Da
  • ChemSpider ID29408392

  • 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-(3-deoxy-3-fluoro-β-D-xylofuranosyl)- [ACD/Index Name]
4-Amino-1-(3-deoxy-3-fluoro-β-D-xylofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(3-désoxy-3-fluoro-β-D-xylofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-Amino-1-(3-desoxy-3-fluor-β-D-xylofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
26563-01-9 [RN]
4-Amino-1-((2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
4-Amino-1-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

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

Density: 1.8±0.1 g/cm3
Boiling Point: 500.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 256.2±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 51.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.65
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.76
Polar Surface Area: 108 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 71.4±7.0 dyne/cm
Molar Volume: 134.1±7.0 cm3

Click to predict properties on the Chemicalize site


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