ChemSpider 2D Image | 4-Amino-1-[(2xi)-5-deoxy-beta-D-threo-pentofuranosyl]-5-fluoro-2(1H)-pyrimidinone | C9H12FN3O4

4-Amino-1-[(2ξ)-5-deoxy-β-D-threo-pentofuranosyl]-5-fluoro-2(1H)-pyrimidinone

  • Molecular FormulaC9H12FN3O4
  • Average mass245.208 Da
  • Monoisotopic mass245.081177 Da
  • ChemSpider ID23935800

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[(2ξ)-5-deoxy-β-D-threo-pentofuranosyl]-5-fluoro- [ACD/Index Name]
4-Amino-1-[(2ξ)-5-deoxy-β-D-threo-pentofuranosyl]-5-fluoro-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-5-desoxy-β-D-threo-pentofuranosyl]-5-fluor-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-5-désoxy-β-D-thréo-pentofuranosyl]-5-fluoro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
1-(5-Deoxy-b-D-ribofuranosyl)-5-fluorocytidine
5-Fluoro-5'-deoxycytidine
66335-38-4 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 437.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±6.0 kJ/mol
Flash Point: 218.6±31.5 °C
Index of Refraction: 1.700
Molar Refractivity: 51.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.53
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.53
Polar Surface Area: 108 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 67.8±7.0 dyne/cm
Molar Volume: 133.2±7.0 cm3

Click to predict properties on the Chemicalize site


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