ChemSpider 2D Image | 4-(Benzoylamino)-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-2(1H)-pyrimidinone | C17H18FN3O6

4-(Benzoylamino)-1-(3-deoxy-3-fluoro-β-D-glucopyranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC17H18FN3O6
  • Average mass379.340 Da
  • Monoisotopic mass379.117950 Da
  • ChemSpider ID25057708
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-(3-deoxy-3-fluoro-β-D-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one
2(1H)-Pyrimidinone, 4-(benzoylamino)-1-(3-deoxy-3-fluoro-β-D-glucopyranosyl)- [ACD/Index Name]
4-(Benzoylamino)-1-(3-deoxy-3-fluoro-β-D-glucopyranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-(Benzoylamino)-1-(3-désoxy-3-fluoro-β-D-glucopyranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-(Benzoylamino)-1-(3-desoxy-3-fluor-β-D-glucopyranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
DKY

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 88.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.41
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.38
Polar Surface Area: 132 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 236.7±7.0 cm3

Click to predict properties on the Chemicalize site






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