ChemSpider 2D Image | 3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl 4-(fluorosulfonyl)benzoate | C23H27FN4O6S

3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl 4-(fluorosulfonyl)benzoate

  • Molecular FormulaC23H27FN4O6S
  • Average mass506.547 Da
  • Monoisotopic mass506.163544 Da
  • ChemSpider ID117383

More details:






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

3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl 4-(fluorosulfonyl)benzoate [ACD/IUPAC Name]
3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl-4-(fluorsulfonyl)benzoat [German] [ACD/IUPAC Name]
4-(Fluorosulfonyl)benzoate de 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tétrahydro-3H-purin-3-yl)propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(fluorosulfonyl)-, 3-(8-cyclopentyl-1,2,6,7-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)propyl ester [ACD/Index Name]
156547-56-7 [RN]
4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester
4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester(FSCPX)
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine
8-Cyclopentyl-N3-[3-(4-(fluorosulfonyl)benzoyloxy)propyl]-N1-propylxanthine
Benzoic acid,4-(fluorosulfonyl)-,3-(8-cyclopentyl-1,2,6,9-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)propylester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EU-0100507 [DBID]
F7927_SIGMA [DBID]
Lopac-F-7927 [DBID]
NCGC00015447-01 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 730.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.7±35.7 °C
Index of Refraction: 1.582
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 269.27
ACD/KOC (pH 5.5): 1909.67
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 261.84
ACD/KOC (pH 7.4): 1857.02
Polar Surface Area: 138 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 367.6±3.0 cm3

Click to predict properties on the Chemicalize site






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