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Search term: InChIKey=PHFMCMDFWSZKGD-IOSLPCCCSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | N-Methyl-2-(methylsulfanyl)adenosine | C12H17N5O4S

N-Methyl-2-(methylsulfanyl)adenosine

  • Molecular FormulaC12H17N5O4S
  • Average mass327.359 Da
  • Monoisotopic mass327.100128 Da
  • ChemSpider ID107451084
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Adenosine, N-methyl-2-(methylthio)- [ACD/Index Name]
N-Methyl-2-(methylsulfanyl)adenosin [German] [ACD/IUPAC Name]
N-Methyl-2-(methylsulfanyl)adenosine [ACD/IUPAC Name]
N-Méthyl-2-(méthylsulfanyl)adénosine [French] [ACD/IUPAC Name]
13406-51-4 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 722.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 390.7±35.7 °C
Index of Refraction: 1.805
Molar Refractivity: 77.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 46.81
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 47.01
Polar Surface Area: 151 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 77.5±7.0 dyne/cm
Molar Volume: 181.0±7.0 cm3

Click to predict properties on the Chemicalize site






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