ChemSpider 2D Image | (2R,3S,4R,5S)-4-{2-[4-(2-Furyl)-1H-1,2,3-triazol-1-yl]-6-(methylamino)-9H-purin-9-yl}-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide | C20H21N9O4

(2R,3S,4R,5S)-4-{2-[4-(2-Furyl)-1H-1,2,3-triazol-1-yl]-6-(methylamino)-9H-purin-9-yl}-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide

  • Molecular FormulaC20H21N9O4
  • Average mass451.439 Da
  • Monoisotopic mass451.171661 Da
  • ChemSpider ID34449827

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4R,5S)-4-{2-[4-(2-Furyl)-1H-1,2,3-triazol-1-yl]-6-(methylamino)-9H-purin-9-yl}-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexan-1-carboxamid [German] [ACD/IUPAC Name]
(2R,3S,4R,5S)-4-{2-[4-(2-Furyl)-1H-1,2,3-triazol-1-yl]-6-(methylamino)-9H-purin-9-yl}-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide [ACD/IUPAC Name]
(2R,3S,4R,5S)-4-{2-[4-(2-Furyl)-1H-1,2,3-triazol-1-yl]-6-(méthylamino)-9H-purin-9-yl}-2,3-dihydroxy-N-méthylbicyclo[3.1.0]hexane-1-carboxamide [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hexane-1-carboxamide, 4-[2-[4-(2-furanyl)-1H-1,2,3-triazol-1-yl]-6-(methylamino)-9H-purin-9-yl]-2,3-dihydroxy-N-methyl-, (2R,3S,4R,5S)- [ACD/Index Name]
(1S,2R,3S,4R,5S)-4-(2-(4-(furan-2-yl)-1H-1,2,3-triazol-1-yl)-6-(methylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
MRS7112
PDSP 33692

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.915
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.29
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.44
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.44
Polar Surface Area: 169 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 91.1±7.0 dyne/cm
Molar Volume: 239.6±7.0 cm3

Click to predict properties on the Chemicalize site


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