ChemSpider 2D Image | [(1R,4S)-4-{2-Amino-6-[(2,2,3,3-~2~H_4_)cyclopropylamino]-9H-purin-9-yl}-2-cyclopenten-1-yl]methanol | C14H14D4N6O

[(1R,4S)-4-{2-Amino-6-[(2,2,3,3-2H4)cyclopropylamino]-9H-purin-9-yl}-2-cyclopenten-1-yl]methanol

  • Molecular FormulaC14H14D4N6O
  • Average mass290.357 Da
  • Monoisotopic mass290.179321 Da
  • ChemSpider ID52082648

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[(1R,4S)-4-{2-Amino-6-[(2,2,3,3-2H4)cyclopropylamino]-9H-purin-9-yl}-2-cyclopenten-1-yl]methanol [German] [ACD/IUPAC Name]
[(1R,4S)-4-{2-Amino-6-[(2,2,3,3-2H4)cyclopropylamino]-9H-purin-9-yl}-2-cyclopenten-1-yl]methanol [ACD/IUPAC Name]
[(1R,4S)-4-{2-Amino-6-[(2,2,3,3-2H4)cyclopropylamino]-9H-purin-9-yl}-2-cyclopentén-1-yl]méthanol [French] [ACD/IUPAC Name]
2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropyl-2,2,3,3-d4-amino)-9H-purin-9-yl]-, (1R,4S)- [ACD/Index Name]
1260619-56-4 [RN]
Abacavir-d4

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

Density: 1.7±0.1 g/cm3
Boiling Point: 636.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.4±34.3 °C
Index of Refraction: 1.864
Molar Refractivity: 75.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.01
ACD/KOC (pH 5.5): 84.10
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.91
ACD/KOC (pH 7.4): 123.99
Polar Surface Area: 102 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 80.2±7.0 dyne/cm
Molar Volume: 167.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement