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Search term: JSDUDTFXRSCOHV-HDJSIYSDSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N~2~-(trans-4-Aminocyclohexyl)-9-cyclopentyl-N~8~-(2,6-difluorophenyl)-9H-purine-2,8-diamine | C22H27F2N7

N2-(trans-4-Aminocyclohexyl)-9-cyclopentyl-N8-(2,6-difluorophenyl)-9H-purine-2,8-diamine

  • Molecular FormulaC22H27F2N7
  • Average mass427.493 Da
  • Monoisotopic mass427.229614 Da
  • ChemSpider ID28491192

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

9H-Purine-2,8-diamine, N2-(trans-4-aminocyclohexyl)-9-cyclopentyl-N8-(2,6-difluorophenyl)- [ACD/Index Name]
N2-(trans-4-Aminocyclohexyl)-9-cyclopentyl-N8-(2,6-difluorophenyl)-9H-purine-2,8-diamine [ACD/IUPAC Name]
N2-(trans-4-Aminocyclohexyl)-9-cyclopentyl-N8-(2,6-difluorophényl)-9H-purine-2,8-diamine [French] [ACD/IUPAC Name]
N2-(trans-4-Aminocyclohexyl)-9-cyclopentyl-N8-(2,6-difluorphenyl)-9H-purin-2,8-diamin [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 607.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.9±34.3 °C
Index of Refraction: 1.730
Molar Refractivity: 112.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.16
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.71
Polar Surface Area: 94 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 280.8±7.0 cm3

Click to predict properties on the Chemicalize site


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