ChemSpider 2D Image | 4-Amino-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-2(1H)-pyrimidinone | C10H12FN3O4

4-Amino-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-2(1H)-pyrimidinone

  • Molecular FormulaC10H12FN3O4
  • Average mass257.218 Da
  • Monoisotopic mass257.081177 Da
  • ChemSpider ID72390993

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]- [ACD/Index Name]
4-Amino-1-[2-fluor-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[2-fluoro-4,5-dihydroxy-3-(hydroxyméthyl)-2-cyclopentén-1-yl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
865838-26-2 [RN]
D11740
MFCD28502078
Roducitabine (USAN)
RX-3117

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

Density: 1.8±0.1 g/cm3
Boiling Point: 516.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 266.1±32.9 °C
Index of Refraction: 1.721
Molar Refractivity: 55.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.72
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.26
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.44
Polar Surface Area: 119 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 75.0±7.0 dyne/cm
Molar Volume: 140.9±7.0 cm3

Click to predict properties on the Chemicalize site


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