ChemSpider 2D Image | 4-Amino-1-(2,3-dideoxy-3-fluoro-D-glycero-pentofuranosyl)-2(1H)-pyrimidinone | C9H12FN3O3

4-Amino-1-(2,3-dideoxy-3-fluoro-D-glycero-pentofuranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC9H12FN3O3
  • Average mass229.208 Da
  • Monoisotopic mass229.086273 Da
  • ChemSpider ID23147320

  • defined stereocentres - 2 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-3-fluoro-D-glycero-pentofuranosyl)- [ACD/Index Name]
4-Amino-1-(2,3-dideoxy-3-fluoro-D-glycero-pentofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(2,3-didesoxy-3-fluor-D-glycero-pentofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-(2,3-didésoxy-3-fluoro-D-glycéro-pentofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-Amino-1-(4-fluoro-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one (FddCyd)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL299196/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 418.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.6±6.0 kJ/mol
Flash Point: 206.6±31.5 °C
Index of Refraction: 1.665
Molar Refractivity: 50.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.34
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.64
Polar Surface Area: 88 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 136.7±7.0 cm3

Click to predict properties on the Chemicalize site


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