ChemSpider 2D Image | {(2S,5R)-5-[6-(Cyclohexylamino)-9H-purin-9-yl]tetrahydro-2-furanyl}methanol | C16H23N5O2

{(2S,5R)-5-[6-(Cyclohexylamino)-9H-purin-9-yl]tetrahydro-2-furanyl}methanol

  • Molecular FormulaC16H23N5O2
  • Average mass317.386 Da
  • Monoisotopic mass317.185181 Da
  • ChemSpider ID34964012

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(2S,5R)-5-[6-(Cyclohexylamino)-9H-purin-9-yl]tetrahydro-2-furanyl}methanol [German] [ACD/IUPAC Name]
{(2S,5R)-5-[6-(Cyclohexylamino)-9H-purin-9-yl]tetrahydro-2-furanyl}methanol [ACD/IUPAC Name]
{(2S,5R)-5-[6-(Cyclohexylamino)-9H-purin-9-yl]tétrahydro-2-furanyl}méthanol [French] [ACD/IUPAC Name]
2-Furanmethanol, 5-[6-(cyclohexylamino)-9H-purin-9-yl]tetrahydro-, (2S,5R)- [ACD/Index Name]
((2S,5R)-5-(6-(Cyclohexylamino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methanol
118191-22-3 [RN]
118191-23-4 [RN]
2',3'-Dideoxy-N(6)-cyclohexyladenosine
ddCHA

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

Density: 1.5±0.1 g/cm3
Boiling Point: 574.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 301.0±32.9 °C
Index of Refraction: 1.740
Molar Refractivity: 84.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.48
ACD/KOC (pH 5.5): 300.73
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.84
ACD/KOC (pH 7.4): 305.97
Polar Surface Area: 85 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 209.5±7.0 cm3

Click to predict properties on the Chemicalize site


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