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Search term: InChIKey=QEWSGVMSLPHELX-SDBHATRESA-N (Found by InChIKey (full match))

ChemSpider 2D Image | adenosine, N-(4-hydroxy-3-methyl-2-buten-1-yl)-2-(methylthio)- | C16H23N5O5S

adenosine, N-(4-hydroxy-3-methyl-2-buten-1-yl)-2-(methylthio)-

  • Molecular FormulaC16H23N5O5S
  • Average mass397.449 Da
  • Monoisotopic mass397.141998 Da
  • ChemSpider ID23254578
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

adenosine, N-(4-hydroxy-3-methyl-2-buten-1-yl)-2-(methylthio)-
N-(4-hydroxy-3-methylbut-2-en-1-yl)-2-(methylsulfanyl)adenosine
26190-61-4 [RN]
adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 798.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 436.7±35.7 °C
Index of Refraction: 1.732
Molar Refractivity: 97.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 43.68
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 43.69
Polar Surface Area: 171 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 68.2±7.0 dyne/cm
Molar Volume: 242.6±7.0 cm3

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