ChemSpider 2D Image | 9-{2-Deoxy-3,5-bis-O-[dimethyl(2-methyl-2-propanyl)silyl]-beta-D-erythro-pentofuranosyl}-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]-9H-purine | C31H47N7O3Si2

9-{2-Deoxy-3,5-bis-O-[dimethyl(2-methyl-2-propanyl)silyl]-β-D-erythro-pentofuranosyl}-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]-9H-purine

  • Molecular FormulaC31H47N7O3Si2
  • Average mass621.921 Da
  • Monoisotopic mass621.327881 Da
  • ChemSpider ID30659183

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

9-{2-Deoxy-3,5-bis-O-[dimethyl(2-methyl-2-propanyl)silyl]-β-D-erythro-pentofuranosyl}-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]-9H-purine [ACD/IUPAC Name]
9-{2-Desoxy-3,5-bis-O-[dimethyl(2-methyl-2-propanyl)silyl]-β-D-erythro-pentofuranosyl}-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]-9H-purin [German] [ACD/IUPAC Name]
9-{2-Désoxy-3,5-bis-O-[diméthyl(2-méthyl-2-propanyl)silyl]-β-D-érythro-pentofuranosyl}-6-[4-(4-méthylphényl)-1H-1,2,3-triazol-1-yl]-9H-purine [French] [ACD/IUPAC Name]
9H-Purine, 9-[2-deoxy-3,5-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-β-D-erythro-pentofuranosyl]-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 675.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.4±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 177.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14933.97
ACD/KOC (pH 5.5): 33842.12
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 14934.56
ACD/KOC (pH 7.4): 33843.46
Polar Surface Area: 102 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 35.3±7.0 dyne/cm
Molar Volume: 532.2±7.0 cm3

Click to predict properties on the Chemicalize site


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