ChemSpider 2D Image | 4-Amino-1-(2-deoxy-2-fluoro-3,5-di-O-isobutyryl-2-methyl-alpha-L-arabinofuranosyl)-2(1H)-pyrimidinone | C18H26FN3O6

4-Amino-1-(2-deoxy-2-fluoro-3,5-di-O-isobutyryl-2-methyl-α-L-arabinofuranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC18H26FN3O6
  • Average mass399.414 Da
  • Monoisotopic mass399.180573 Da
  • ChemSpider ID114391431

  • 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-2-methyl-3,5-bis-O-(2-methyl-1-oxopropyl)-α-L-arabinofuranosyl]- [ACD/Index Name]
4-Amino-1-(2-deoxy-2-fluoro-3,5-di-O-isobutyryl-2-methyl-α-L-arabinofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(2-desoxy-2-fluor-3,5-di-O-isobutyryl-2-methyl-α-L-arabinofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-(2-désoxy-2-fluoro-3,5-di-O-isobutyryl-2-méthyl-α-L-arabinofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 496.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 253.8±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 95.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.75
ACD/KOC (pH 5.5): 119.79
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.07
ACD/KOC (pH 7.4): 126.57
Polar Surface Area: 121 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 292.7±7.0 cm3

Click to predict properties on the Chemicalize site


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