ChemSpider 2D Image | 4-Amino-1-(2,3-di-O-acetyl-5-deoxypentofuranosyl)-5-fluoro-2(1H)-pyrimidinone | C13H16FN3O6

4-Amino-1-(2,3-di-O-acetyl-5-deoxypentofuranosyl)-5-fluoro-2(1H)-pyrimidinone

  • Molecular FormulaC13H16FN3O6
  • Average mass329.281 Da
  • Monoisotopic mass329.102325 Da
  • ChemSpider ID14198632

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-(2,3-di-O-acetyl-5-deoxypentofuranosyl)-5-fluoro- [ACD/Index Name]
4-Amino-1-(2,3-di-O-acetyl-5-deoxypentofuranosyl)-5-fluoro-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(2,3-di-O-acetyl-5-deoxypentofuranosyl)-5-fluoropyrimidin-2(1H)-one
4-Amino-1-(2,3-di-O-acetyl-5-desoxypentofuranosyl)-5-fluor-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-(2,3-di-O-acétyl-5-désoxypentofuranosyl)-5-fluoro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-D-cytidine
2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine
4395-95-3 [RN]
4-acetyloxy-2-(4-amino-5-fluoro-2-oxohydropyrimidinyl)-5-methyloxolan-3-yl acetate
5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 427.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 212.3±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 72.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.71
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.73
Polar Surface Area: 121 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 208.8±7.0 cm3

Click to predict properties on the Chemicalize site


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