Found 1 result

Search term: LYIXTUFBFWFAFP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (8-Cyclopentyl-2,6-dioxo-6,7-dihydro-1H-purine-1,3(2H)-diyl)di-3,1-propanediyl bis[4-(fluorosulfonyl)benzoate] | C30H30F2N4O10S2

(8-Cyclopentyl-2,6-dioxo-6,7-dihydro-1H-purine-1,3(2H)-diyl)di-3,1-propanediyl bis[4-(fluorosulfonyl)benzoate]

  • Molecular FormulaC30H30F2N4O10S2
  • Average mass708.707 Da
  • Monoisotopic mass708.137146 Da
  • ChemSpider ID9940047

More details:

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

(8-Cyclopentyl-2,6-dioxo-6,7-dihydro-1H-purin-1,3(2H)-diyl)di-3,1-propandiyl-bis[4-(fluorsulfonyl)benzoat] [German] [ACD/IUPAC Name]
(8-Cyclopentyl-2,6-dioxo-6,7-dihydro-1H-purine-1,3(2H)-diyl)di-3,1-propanediyl bis[4-(fluorosulfonyl)benzoate] [ACD/IUPAC Name]
(8-cyclopentyl-2,6-dioxo-6,9-dihydro-1H-purine-1,3(2H)-diyl)dipropane-3,1-diyl bis[4-(fluorosulfonyl)benzoate]
Benzoic acid, 4-(fluorosulfonyl)-, (8-cyclopentyl-6,7-dihydro-2,6-dioxo-1H-purine-1,3(2H)-diyl)di-3,1-propanediyl ester [ACD/Index Name]
Bis[4-(fluorosulfonyl)benzoate] de (8-cyclopentyl-2,6-dioxo-6,7-dihydro-1H-purine-1,3(2H)-diyl)di-3,1-propanediyle [French] [ACD/IUPAC Name]
8-cyclopentyl-1,3-di[3-(4-fluorosulfonylphenylcarbonyloxy)propyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL328033/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 879.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 485.9±37.1 °C
Index of Refraction: 1.593
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1542.55
ACD/KOC (pH 5.5): 6661.32
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1487.84
ACD/KOC (pH 7.4): 6425.05
Polar Surface Area: 207 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 480.6±3.0 cm3

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