ChemSpider 2D Image | 1-Methyl-9-(beta-L-ribofuranosyl)-1,9-dihydro-6H-purin-6-imine | C11H15N5O4

1-Methyl-9-(β-L-ribofuranosyl)-1,9-dihydro-6H-purin-6-imine

  • Molecular FormulaC11H15N5O4
  • Average mass281.268 Da
  • Monoisotopic mass281.112396 Da
  • ChemSpider ID58122504

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Methyl-9-(β-L-ribofuranosyl)-1,9-dihydro-6H-purin-6-imin [German] [ACD/IUPAC Name]
1-Methyl-9-(β-L-ribofuranosyl)-1,9-dihydro-6H-purin-6-imine [ACD/IUPAC Name]
1-Méthyl-9-(β-L-ribofuranosyl)-1,9-dihydro-6H-purin-6-imine [French] [ACD/IUPAC Name]
6H-Purin-6-imine, 1,9-dihydro-1-methyl-9-β-L-ribofuranosyl- [ACD/Index Name]
(2S,3R,4S,5S)-2-(hydroxymethyl)-5-(6-imino-1-methyl-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-3,4-diol
(2S,3R,4S,5S)-2-(hydroxymethyl)-5-(6-imino-1-methyl-6,9-dihydro-1H-purin-9-yl)oxolane-3,4-diol
15763-06-1 [RN]
1-Methyladenosine [ACD/IUPAC Name]
GS-6699

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

Density: 1.9±0.1 g/cm3
Boiling Point: 655.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 350.2±34.3 °C
Index of Refraction: 1.824
Molar Refractivity: 65.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -3.27
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 127 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 88.4±7.0 dyne/cm
Molar Volume: 149.5±7.0 cm3

Click to predict properties on the Chemicalize site


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