ChemSpider 2D Image | 2,3,4-Tri-O-acetyl-1-O-(2,2,2-trichloroethanimidoyl)-beta-D-xylopyranose | C13H16Cl3NO8

2,3,4-Tri-O-acetyl-1-O-(2,2,2-trichloroethanimidoyl)-β-D-xylopyranose

  • Molecular FormulaC13H16Cl3NO8
  • Average mass420.627 Da
  • Monoisotopic mass418.994141 Da
  • ChemSpider ID30649245

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,3,4-Tri-O-acetyl-1-O-(2,2,2-trichlorethanimidoyl)-β-D-xylopyranose [German] [ACD/IUPAC Name]
2,3,4-Tri-O-acetyl-1-O-(2,2,2-trichloroethanimidoyl)-β-D-xylopyranose [ACD/IUPAC Name]
2,3,4-Tri-O-acétyl-1-O-(2,2,2-trichloroethanimidoyl)-β-D-xylopyranose [French] [ACD/IUPAC Name]
β-D-Xylopyranose, 1-O-(2,2,2-trichloro-1-iminoethyl)-, 2,3,4-triacetate [ACD/Index Name]
(2S,3R,4S,5R)-2-(2,2,2-Trichloro-1-iminoethoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
[(3R,4S,5R,6S)-4,5-Diacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] acetate
128377-34-4 [RN]
2,3,4-Tri-O-acetyl-β-D-xylopyranosyl trichloroacetimidate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 395.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 192.9±30.7 °C
Index of Refraction: 1.555
Molar Refractivity: 85.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.83
ACD/KOC (pH 5.5): 546.17
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.83
ACD/KOC (pH 7.4): 546.21
Polar Surface Area: 121 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 265.2±7.0 cm3

Click to predict properties on the Chemicalize site


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