ChemSpider 2D Image | emitefur | C28H19FN4O8

emitefur

  • Molecular FormulaC28H19FN4O8
  • Average mass558.471 Da
  • Monoisotopic mass558.118713 Da
  • ChemSpider ID59319

More details:






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

110690-43-2 [RN]
3-[[3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl]carbonyl]benzoic acid 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
3-[3-(6-Benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl]-1-(ethoxymethyl)-5-fluorouracil
3-{[3-(Éthoxyméthyl)-5-fluoro-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]carbonyl}benzoate de 6-(benzoyloxy)-3-cyano-2-pyridinyle [French] [ACD/IUPAC Name]
6-(Benzoyloxy)-3-cyan-2-pyridinyl-3-{[3-(ethoxymethyl)-5-fluor-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]carbonyl}benzoat [German] [ACD/IUPAC Name]
6-(Benzoyloxy)-3-cyano-2-pyridinyl 3-{[3-(ethoxymethyl)-5-fluoro-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]carbonyl}benzoate [ACD/IUPAC Name]
6-(Benzoyloxy)-3-cyanopyridin-2-yl 3-{[3-(ethoxymethyl)-5-fluoro-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl]carbonyl}benzoate
Benzoic acid, 3-[[3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl]carbonyl]-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester [ACD/Index Name]
CNDP
emitefur [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 6984 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 755.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.5±35.7 °C
Index of Refraction: 1.663
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.89
ACD/KOC (pH 5.5): 912.35
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.89
ACD/KOC (pH 7.4): 912.35
Polar Surface Area: 156 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 367.4±5.0 cm3

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