ChemSpider 2D Image | N,N-Dimethyl-9-[(2xi)-2-O-methyl-beta-D-threo-pentofuranosyl]-9H-purin-6-amine | C13H19N5O4

N,N-Dimethyl-9-[(2ξ)-2-O-methyl-β-D-threo-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC13H19N5O4
  • Average mass309.321 Da
  • Monoisotopic mass309.143707 Da
  • ChemSpider ID71116137

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9H-Purin-6-amine, N,N-dimethyl-9-[(2ξ)-2-O-methyl-β-D-threo-pentofuranosyl]- [ACD/Index Name]
N,N-Dimethyl-9-[(2ξ)-2-O-methyl-β-D-threo-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
N,N-Dimethyl-9-[(2ξ)-2-O-methyl-β-D-threo-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
N,N-Diméthyl-9-[(2ξ)-2-O-méthyl-β-D-thréo-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
30891-53-3 [RN]
N6,N6,2'-O-Trimethyladenosine
N6,N6,2'-O-Trimethyladenosine|N6-Dimethyl-2?-O-methyladenosine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 574.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 301.4±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 75.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 40.38
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 44.27
Polar Surface Area: 106 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 197.0±7.0 cm3

Click to predict properties on the Chemicalize site


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