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Search term: InChIKey=NFWRNKCNTZDCAI-XNIJJKJLSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | N-(3-Methyl-2-buten-1-yl)-2-{[(methylsulfanyl)methyl]sulfanyl}adenosine | C17H25N5O4S2

N-(3-Methyl-2-buten-1-yl)-2-{[(methylsulfanyl)methyl]sulfanyl}adenosine

  • Molecular FormulaC17H25N5O4S2
  • Average mass427.542 Da
  • Monoisotopic mass427.134796 Da
  • ChemSpider ID107449000
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Adenosine, N-(3-methyl-2-buten-1-yl)-2-[[(methylthio)methyl]thio]- [ACD/Index Name]
N-(3-Methyl-2-buten-1-yl)-2-{[(methylsulfanyl)methyl]sulfanyl}adenosin [German] [ACD/IUPAC Name]
N-(3-Methyl-2-buten-1-yl)-2-{[(methylsulfanyl)methyl]sulfanyl}adenosine [ACD/IUPAC Name]
N-(3-Méthyl-2-butén-1-yl)-2-{[(méthylsulfanyl)méthyl]sulfanyl}adénosine [French] [ACD/IUPAC Name]
2230217-25-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 733.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 397.5±35.7 °C
Index of Refraction: 1.718
Molar Refractivity: 108.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.36
ACD/KOC (pH 5.5): 290.26
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.36
ACD/KOC (pH 7.4): 290.27
Polar Surface Area: 176 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 275.0±7.0 cm3

Click to predict properties on the Chemicalize site






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