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Search term: InChIKey=DJONVIMMDYQLKR-WOUKDFQISA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 1-Methyl-2'-O-methyladenosine | C12H17N5O4

1-Methyl-2'-O-methyladenosine

  • Molecular FormulaC12H17N5O4
  • Average mass295.294 Da
  • Monoisotopic mass295.128052 Da
  • ChemSpider ID82827073
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-Methyl-2'-O-methyladenosin [German] [ACD/IUPAC Name]
1-Methyl-2'-O-methyladenosine [ACD/IUPAC Name]
1-Méthyl-2'-O-méthyladénosine [French] [ACD/IUPAC Name]
Adenosine, 1-methyl-2'-O-methyl- [ACD/Index Name]
91101-00-7 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 612.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 323.9±34.3 °C
Index of Refraction: 1.742
Molar Refractivity: 70.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.91
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.37
Polar Surface Area: 116 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 69.9±7.0 dyne/cm
Molar Volume: 173.9±7.0 cm3

Click to predict properties on the Chemicalize site






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