ChemSpider 2D Image | 1-[3-O-Acetyl-2-deoxy-5-O-(2,2-dimethyl-1,1-diphenylpropyl)-2-fluoro-beta-D-ribofuranosyl]-4-hydroxy-5-methyl-2(1H)-pyrimidinone | C29H33FN2O6

1-[3-O-Acetyl-2-deoxy-5-O-(2,2-dimethyl-1,1-diphenylpropyl)-2-fluoro-β-D-ribofuranosyl]-4-hydroxy-5-methyl-2(1H)-pyrimidinone

  • Molecular FormulaC29H33FN2O6
  • Average mass524.581 Da
  • Monoisotopic mass524.232239 Da
  • ChemSpider ID57270185

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[3-O-Acetyl-2-deoxy-5-O-(2,2-dimethyl-1,1-diphenylpropyl)-2-fluoro-β-D-ribofuranosyl]-4-hydroxy-5-methyl-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-[3-O-Acétyl-2-désoxy-5-O-(2,2-diméthyl-1,1-diphénylpropyl)-2-fluoro-β-D-ribofuranosyl]-4-hydroxy-5-méthyl-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
1-[3-O-Acetyl-2-desoxy-5-O-(2,2-dimethyl-1,1-diphenylpropyl)-2-fluor-β-D-ribofuranosyl]-4-hydroxy-5-methyl-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-[3-O-acetyl-2-deoxy-5-O-(2,2-dimethyl-1,1-diphenylpropyl)-2-fluoro-β-D-ribofuranosyl]-4-hydroxy-5-methyl- [ACD/Index Name]
3'-O-ACETYL-5'-O-TERT-BUTYLDIPHENYLSILYL-2'-DEOXY-2'-FLUORO-D-THYMIDINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 632.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 336.0±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 9.38
ACD/KOC (pH 5.5): 46.35
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 7.15
ACD/KOC (pH 7.4): 35.30
Polar Surface Area: 98 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 420.8±7.0 cm3

Click to predict properties on the Chemicalize site


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