ChemSpider 2D Image | 2,3-Dideoxy-5-O-(4-methylbenzoyl)-3-{[(4-methylbenzoyl)oxy]methyl}-beta-D-threo-pentofuranosyl chloride | C22H23ClO5

2,3-Dideoxy-5-O-(4-methylbenzoyl)-3-{[(4-methylbenzoyl)oxy]methyl}-β-D-threo-pentofuranosyl chloride

  • Molecular FormulaC22H23ClO5
  • Average mass402.868 Da
  • Monoisotopic mass402.123413 Da
  • ChemSpider ID50644970

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,3-Dideoxy-5-O-(4-methylbenzoyl)-3-{[(4-methylbenzoyl)oxy]methyl}-β-D-threo-pentofuranosyl chloride [ACD/IUPAC Name]
2,3-Didesoxy-5-O-(4-methylbenzoyl)-3-{[(4-methylbenzoyl)oxy]methyl}-β-D-threo-pentofuranosylchlorid [German] [ACD/IUPAC Name]
Chlorure de 2,3-didésoxy-5-O-(4-méthylbenzoyl)-3-{[(4-méthylbenzoyl)oxy]méthyl}-β-D-thréo-pentofuranosyle [French] [ACD/IUPAC Name]
β-D-threo-Pentofuranosyl chloride, 2,3-dideoxy-3-[[(4-methylbenzoyl)oxy]methyl]-, 4-methylbenzoate [ACD/Index Name]
3,5-DI-O-(P-TOLUYL)-2-DEOXY-D-RIBOFURANOSYL CHLORIDE
4330-21-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 185.2±27.7 °C
Index of Refraction: 1.578
Molar Refractivity: 105.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2201.64
ACD/KOC (pH 5.5): 8596.74
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2201.64
ACD/KOC (pH 7.4): 8596.74
Polar Surface Area: 62 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 319.1±5.0 cm3

Click to predict properties on the Chemicalize site


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