ChemSpider 2D Image | n-(1-phenylpropan-2-yl)adenosine | C19H23N5O4

n-(1-phenylpropan-2-yl)adenosine

  • Molecular FormulaC19H23N5O4
  • Average mass385.417 Da
  • Monoisotopic mass385.175018 Da
  • ChemSpider ID23176086

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

9H-Purin-6-amine, N-(1-methyl-2-phenylethyl)-9-D-ribofuranosyl- [ACD/Index Name]
Adenosine, N-(1-methyl-2-phenylethyl)- [ACD/Index Name]
N-(1-Phenyl-2-propanyl)-9-(D-ribofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-(1-Phenyl-2-propanyl)-9-(D-ribofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
N-(1-Phényl-2-propanyl)-9-(D-ribofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
n-(1-phenylpropan-2-yl)adenosine
(2R,3S,4R)-2-(hydroxymethyl)-5-{6-[(1-phenylpropan-2-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol
2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 715.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 386.8±35.7 °C
Index of Refraction: 1.725
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.60
ACD/KOC (pH 5.5): 270.23
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.79
ACD/KOC (pH 7.4): 273.19
Polar Surface Area: 126 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 251.4±7.0 cm3

Click to predict properties on the Chemicalize site


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