ChemSpider 2D Image | N-[(1R,2R,3R,5S)-3-[6-(Dimethylamino)-9H-purin-9-yl]-2-hydroxy-5-(hydroxymethyl)cyclopentyl]-O-methyltyrosinamide | C23H31N7O4

N-[(1R,2R,3R,5S)-3-[6-(Dimethylamino)-9H-purin-9-yl]-2-hydroxy-5-(hydroxymethyl)cyclopentyl]-O-methyltyrosinamide

  • Molecular FormulaC23H31N7O4
  • Average mass469.537 Da
  • Monoisotopic mass469.243744 Da
  • ChemSpider ID26638244
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

Benzenepropanamide, α-amino-N-[(1R,2R,3R,5S)-3-[6-(dimethylamino)-9H-purin-9-yl]-2-hydroxy-5-(hydroxymethyl)cyclopentyl]-4-methoxy- [ACD/Index Name]
N-[(1R,2R,3R,5S)-3-[6-(Dimethylamino)-9H-purin-9-yl]-2-hydroxy-5-(hydroxymethyl)cyclopentyl]-O-methyltyrosinamid [German] [ACD/IUPAC Name]
N-[(1R,2R,3R,5S)-3-[6-(Dimethylamino)-9H-purin-9-yl]-2-hydroxy-5-(hydroxymethyl)cyclopentyl]-O-methyltyrosinamide [ACD/IUPAC Name]
N-[(1R,2R,3R,5S)-3-[6-(Diméthylamino)-9H-purin-9-yl]-2-hydroxy-5-(hydroxyméthyl)cyclopentyl]-O-méthyltyrosinamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 123.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.50
Polar Surface Area: 152 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 321.3±7.0 cm3

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