ChemSpider 2D Image | (2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide | C12H16N6O4

(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide

  • Molecular FormulaC12H16N6O4
  • Average mass308.293 Da
  • Monoisotopic mass308.123291 Da
  • ChemSpider ID21475067

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-N-éthyl-3,4-dihydroxytétrahydro-2-furanecarboxamide [French] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)
1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-b-D-ribofuranuronamide
35920-39-9 [RN]
5'-N-Ethylcarboxamidoadenosine
b-D-Ribofuranuronamide,1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-
NECA
  • Miscellaneous

    • Bio Activity:

      Adenosine receptor agonist Tocris Bioscience [1691]

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: 1.829
Molar Refractivity: 72.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.15
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.45
Polar Surface Area: 148 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 87.6±7.0 dyne/cm
Molar Volume: 164.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement