ChemSpider 2D Image | 2-(Methylsulfanyl)adenosine | C11H15N5O4S

2-(Methylsulfanyl)adenosine

  • Molecular FormulaC11H15N5O4S
  • Average mass313.333 Da
  • Monoisotopic mass313.084473 Da
  • ChemSpider ID29787473

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-(Methylsulfanyl)adenosin [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)adenosine [ACD/IUPAC Name]
2-(Méthylsulfanyl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 2-(methylthio)- [ACD/Index Name]
2-methylthioadenosine
2-Methylthio-D-adenosine
4105-39-9 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 747.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 406.0±35.7 °C
Index of Refraction: 1.878
Molar Refractivity: 72.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.30
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.91
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.93
Polar Surface Area: 165 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 95.4±7.0 dyne/cm
Molar Volume: 157.9±7.0 cm3

Click to predict properties on the Chemicalize site


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