ChemSpider 2D Image | 5'-S-Methyl-5'-thioadenosine | C11H15N5O3S

5'-S-Methyl-5'-thioadenosine

  • Molecular FormulaC11H15N5O3S
  • Average mass297.333 Da
  • Monoisotopic mass297.089569 Da
  • ChemSpider ID35518715

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

5'-S-Methyl-5'-thioadenosin [German] [ACD/IUPAC Name]
5'-S-Methyl-5'-thioadenosine [ACD/IUPAC Name]
5'-S-Méthyl-5'-thioadénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-S-methyl-5'-thio- [ACD/Index Name]
2457-80-9 [RN]
5'-Deoxy-5'-(methylthio)adenosine

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

Density: 1.9±0.1 g/cm3
Boiling Point: 642.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.5±34.3 °C
Index of Refraction: 1.843
Molar Refractivity: 71.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.67
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.55
Polar Surface Area: 145 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 85.0±7.0 dyne/cm
Molar Volume: 160.6±7.0 cm3

Click to predict properties on the Chemicalize site


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