ChemSpider 2D Image | N-[(1S,2R,4S)-7-(tert-butoxycarbonyl)-7-azabicyclo[2.2.1]hept-2-yl]adenosine | C21H30N6O6

N-[(1S,2R,4S)-7-(tert-butoxycarbonyl)-7-azabicyclo[2.2.1]hept-2-yl]adenosine

  • Molecular FormulaC21H30N6O6
  • Average mass462.500 Da
  • Monoisotopic mass462.222687 Da
  • ChemSpider ID23298348

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

Adenosine, N-[(1S,2R,4S)-7-[(1,1-dimethylethoxy)carbonyl]-7-azabicyclo[2.2.1]hept-2-yl]- [ACD/Index Name]
N-[(1S,2R,4S)-7-(tert-butoxycarbonyl)-7-azabicyclo[2.2.1]hept-2-yl]adenosine
N-[(1S,2R,4S)-7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-7-azabicyclo[2.2.1]hept-2-yl]adenosin [German] [ACD/IUPAC Name]
N-[(1S,2R,4S)-7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-7-azabicyclo[2.2.1]hept-2-yl]adenosine [ACD/IUPAC Name]
N-[(1S,2R,4S)-7-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-7-azabicyclo[2.2.1]hept-2-yl]adénosine [French] [ACD/IUPAC Name]
(1S,2R,4S)-2-[9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester
CHEMBL240279

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

Density: 1.7±0.1 g/cm3
Boiling Point: 735.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 398.5±35.7 °C
Index of Refraction: 1.765
Molar Refractivity: 112.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 70.99
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.74
ACD/KOC (pH 7.4): 71.55
Polar Surface Area: 155 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 273.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement