ChemSpider 2D Image | 5'-O-(2-Amino-2-oxoethyl)-8-(methylamino)adenosine | C13H19N7O5

5'-O-(2-Amino-2-oxoethyl)-8-(methylamino)adenosine

  • Molecular FormulaC13H19N7O5
  • Average mass353.334 Da
  • Monoisotopic mass353.144775 Da
  • ChemSpider ID26325490
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

5'-O-(2-Amino-2-oxoethyl)-8-(methylamino)adenosin [German] [ACD/IUPAC Name]
5'-O-(2-Amino-2-oxoethyl)-8-(methylamino)adenosine [ACD/IUPAC Name]
5'-O-(2-Amino-2-oxoéthyl)-8-(méthylamino)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-(2-amino-2-oxoethyl)-8-(methylamino)- [ACD/Index Name]
3F5
adenosine-derived inhibitor (Grp78), 7

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

Density: 1.9±0.1 g/cm3
Boiling Point: 773.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 421.7±35.7 °C
Index of Refraction: 1.821
Molar Refractivity: 80.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.91
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.94
Polar Surface Area: 184 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 91.3±7.0 dyne/cm
Molar Volume: 183.5±7.0 cm3

Click to predict properties on the Chemicalize site






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