ChemSpider 2D Image | 4-Amino-1-(2,3-dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)-5-fluoro-2(1H)-pyrimidinone | C9H11F2N3O3

4-Amino-1-(2,3-dideoxy-2-fluoro-β-D-threo-pentofuranosyl)-5-fluoro-2(1H)-pyrimidinone

  • Molecular FormulaC9H11F2N3O3
  • Average mass247.199 Da
  • Monoisotopic mass247.076843 Da
  • ChemSpider ID20016897

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-2-fluoro-β-D-threo-pentofuranosyl)-5-fluoro-
2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-2-fluoro-β-D-threo-pentofuranosyl)-5-fluoro- [ACD/Index Name]
4-Amino-1-(2,3-dideoxy-2-fluoro-β-D-threo-pentofuranosyl)-5-fluoro-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(2,3-didésoxy-2-fluoro-β-D-thréo-pentofuranosyl)-5-fluoro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-Amino-1-(2,3-didesoxy-2-fluor-β-D-threo-pentofuranosyl)-5-fluor-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-(2,3-dideoxy-2-fluoropentofuranosyl)-5-fluorocytosine
128496-09-3 [RN]

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

Density: 1.8±0.0 g/cm3
Boiling Point: 389.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 73.9±0.0 kJ/mol
Flash Point: 189.4±0.0 °C
Index of Refraction:
Molar Refractivity: 50.7±0.0 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.90
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.90
Polar Surface Area: 88 Å2
Polarizability: 20.1±0.0 10-24cm3
Surface Tension: 57.2±0.0 dyne/cm
Molar Volume: 139.7±0.0 cm3

Click to predict properties on the Chemicalize site


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