ChemSpider 2D Image | 2-Chloro-N-[(3,3,4,4-~2~H_4_)cyclopentyl]-9-[(2xi)-beta-D-threo-pentofuranosyl]-9H-purin-6-amine | C15H16D4ClN5O4

2-Chloro-N-[(3,3,4,4-2H4)cyclopentyl]-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC15H16D4ClN5O4
  • Average mass373.828 Da
  • Monoisotopic mass373.145477 Da
  • ChemSpider ID58779813

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-Chlor-N-[(3,3,4,4-2H4)cyclopentyl]-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
2-Chloro-N-[(3,3,4,4-2H4)cyclopentyl]-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
2-Chloro-N-[(3,3,4,4-2H4)cyclopentyl]-9-[(2ξ)-β-D-thréo-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 2-chloro-N-(cyclopentyl-3,3,4,4-d4)-9-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 617.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 327.1±34.3 °C
Index of Refraction: 1.824
Molar Refractivity: 86.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.60
ACD/KOC (pH 5.5): 188.54
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.60
ACD/KOC (pH 7.4): 188.54
Polar Surface Area: 126 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 81.4±7.0 dyne/cm
Molar Volume: 197.3±7.0 cm3

Click to predict properties on the Chemicalize site


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