ChemSpider 2D Image | 5'-O-(cyclohexylcarbamoyl)-N-(tetrahydrofuran-3-yl)adenosine | C21H30N6O6

5'-O-(cyclohexylcarbamoyl)-N-(tetrahydrofuran-3-yl)adenosine

  • Molecular FormulaC21H30N6O6
  • Average mass462.500 Da
  • Monoisotopic mass462.222687 Da
  • ChemSpider ID23222510

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

5'-O-(cyclohexylcarbamoyl)-N-(tetrahydrofuran-3-yl)adenosine
9-[5-O-(Cyclohexylcarbamoyl)-D-ribofuranosyl]-N-(tetrahydro-3-furanyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[5-O-(Cyclohexylcarbamoyl)-D-ribofuranosyl]-N-(tetrahydro-3-furanyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-[5-O-(Cyclohexylcarbamoyl)-D-ribofuranosyl]-N-(tétrahydro-3-furanyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[(cyclohexylamino)carbonyl]-D-ribofuranosyl]-N-(tetrahydro-3-furanyl)- [ACD/Index Name]
CHEMBL345494
Cyclohexyl-carbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL345494/

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.760
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.89
ACD/KOC (pH 5.5): 108.13
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.91
ACD/KOC (pH 7.4): 108.78
Polar Surface Area: 153 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 273.4±7.0 cm3

Click to predict properties on the Chemicalize site


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