ChemSpider 2D Image | 4-O-Benzyl-3-deoxy-1-C-{1,1-dichloro-2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-2-O-methyl-alpha-D-ribo-hexopyranose | C20H28Cl2O7

4-O-Benzyl-3-deoxy-1-C-{1,1-dichloro-2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-2-O-methyl-α-D-ribo-hexopyranose

  • Molecular FormulaC20H28Cl2O7
  • Average mass451.338 Da
  • Monoisotopic mass450.121216 Da
  • ChemSpider ID24732378

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-O-Benzyl-3-deoxy-1-C-{1,1-dichloro-2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-2-O-methyl-α-D-ribo-hexopyranose [ACD/IUPAC Name]
4-O-Benzyl-3-desoxy-1-C-{1,1-dichlor-2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-2-O-methyl-α-D-ribo-hexopyranose [German] [ACD/IUPAC Name]
4-O-Benzyl-3-désoxy-1-C-{1,1-dichloro-2-[(2-méthyl-2-propanyl)oxy]-2-oxoéthyl}-2-O-méthyl-α-D-ribo-hexopyranose [French] [ACD/IUPAC Name]
α-D-ribo-3-Octulopyranosonic acid, 2,2-dichloro-2,5-dideoxy-4-O-methyl-6-O-(phenylmethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.5±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 915.22
ACD/KOC (pH 5.5): 4586.18
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 909.82
ACD/KOC (pH 7.4): 4559.12
Polar Surface Area: 94 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 342.2±5.0 cm3

Click to predict properties on the Chemicalize site


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