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Search term: CUPRZGLGSKHKRQ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{5-[8-(Bicyclo[2.2.1]hept-2-yl)-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl]pentanoyl}benzenesulfonyl fluoride | C26H31FN4O5S

4-{5-[8-(Bicyclo[2.2.1]hept-2-yl)-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl]pentanoyl}benzenesulfonyl fluoride

  • Molecular FormulaC26H31FN4O5S
  • Average mass530.612 Da
  • Monoisotopic mass530.199890 Da
  • ChemSpider ID23193636

More details:

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

4-{5-[8-(Bicyclo[2.2.1]hept-2-yl)-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl]pentanoyl}benzenesulfonyl fluoride [ACD/IUPAC Name]
4-{5-[8-(Bicyclo[2.2.1]hept-2-yl)-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-bicyclo[2.2.1]hept-2-yl-1,2,6,9-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)-1-oxopentyl]- [ACD/Index Name]
Fluorure de 4-{5-[8-(bicyclo[2.2.1]hept-2-yl)-2,6-dioxo-1-propyl-1,2,6,7-tétrahydro-3H-purin-3-yl]pentanoyl}benzènesulfonyle [French] [ACD/IUPAC Name]
4-[5-(8-Bicyclo[2.2.1]hept-2-yl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-pentanoyl]-benzenesulfonyl fluoride
CHEMBL107646

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

Density: 1.3±0.1 g/cm3
Boiling Point: 759.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 412.9±35.7 °C
Index of Refraction: 1.588
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 551.55
ACD/KOC (pH 5.5): 3190.71
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 535.48
ACD/KOC (pH 7.4): 3097.73
Polar Surface Area: 129 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 394.2±3.0 cm3

Click to predict properties on the Chemicalize site


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