ChemSpider 2D Image | (2R,3S,4R)-2-(hydroxymethyl)-5-[6-[[(1S)-1-methyl-2-phenyl-ethyl]amino]purin-9-yl]tetrahydrofuran-3,4-diol | C19H23N5O4

(2R,3S,4R)-2-(hydroxymethyl)-5-[6-[[(1S)-1-methyl-2-phenyl-ethyl]amino]purin-9-yl]tetrahydrofuran-3,4-diol

  • Molecular FormulaC19H23N5O4
  • Average mass385.417 Da
  • Monoisotopic mass385.174988 Da
  • ChemSpider ID24655348

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(-)-N6-(2-PHENYLISOPROPYL)-ADENOSINE
38594-96-6 [RN]

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

Density: 1.5±0.0 g/cm3
Boiling Point: 715.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 109.9±0.0 kJ/mol
Flash Point: 386.8±0.0 °C
Index of Refraction: 1.725
Molar Refractivity: 99.8±0.0 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.37
ACD/KOC (pH 5.5): 245.26
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.53
ACD/KOC (pH 7.4): 247.90
Polar Surface Area: 126 Å2
Polarizability: 39.6±0.0 10-24cm3
Surface Tension: 63.9±0.0 dyne/cm
Molar Volume: 251.4±0.0 cm3

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