ChemSpider 2D Image | 9-(5-O-Trityl-beta-D-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-one | C29H26N4O5

9-(5-O-Trityl-β-D-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC29H26N4O5
  • Average mass510.540 Da
  • Monoisotopic mass510.190308 Da
  • ChemSpider ID74055313

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

6H-Purin-6-one, 1,9-dihydro-9-[5-O-(triphenylmethyl)-β-D-glycero-pentofuranosyl]- [ACD/Index Name]
9-(5-O-Trityl-β-D-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-(5-O-Trityl-β-D-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
9-(5-O-Trityl-β-D-glycéro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 813.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 445.8±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 139.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.11
ACD/KOC (pH 5.5): 913.72
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 92.65
ACD/KOC (pH 7.4): 880.86
Polar Surface Area: 118 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 362.8±7.0 cm3

Click to predict properties on the Chemicalize site


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