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Search term: JDDRQMHCGUXFQL-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-[5-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)pentanoyl]benzenesulfonyl fluoride | C24H29FN4O5S

4-[5-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)pentanoyl]benzenesulfonyl fluoride

  • Molecular FormulaC24H29FN4O5S
  • Average mass504.574 Da
  • Monoisotopic mass504.184265 Da
  • ChemSpider ID8589232

More details:

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

4-[5-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)pentanoyl]benzenesulfonyl fluoride [ACD/IUPAC Name]
4-[5-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)pentanoyl]benzolsulfonylfluorid [German] [ACD/IUPAC Name]
Benzenesulfonyl fluoride, 4-[5-(8-cyclopentyl-1,2,6,7-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)-1-oxopentyl]- [ACD/Index Name]
Fluorure de 4-[5-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tétrahydro-3H-purin-3-yl)pentanoyl]benzènesulfonyle [French] [ACD/IUPAC Name]
4-[5-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-pentanoyl]-benzenesulfonyl fluoride
CHEMBL107499

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

Density: 1.3±0.1 g/cm3
Boiling Point: 739.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.9±35.7 °C
Index of Refraction: 1.579
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 297.76
ACD/KOC (pH 5.5): 2052.24
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 296.81
ACD/KOC (pH 7.4): 2045.67
Polar Surface Area: 129 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 377.7±3.0 cm3

Click to predict properties on the Chemicalize site


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