ChemSpider 2D Image | Methyl (3xi)-2,3,4-tri-O-isobutyryl-1-O-(2,2,2-trichloroethanimidoyl)-beta-D-ribo-hexopyranuronate | C21H30Cl3NO10

Methyl (3ξ)-2,3,4-tri-O-isobutyryl-1-O-(2,2,2-trichloroethanimidoyl)-β-D-ribo-hexopyranuronate

  • Molecular FormulaC21H30Cl3NO10
  • Average mass562.823 Da
  • Monoisotopic mass561.093506 Da
  • ChemSpider ID107446859

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3ξ)-2,3,4-Tri-O-isobutyryl-1-O-(2,2,2-trichloroethanimidoyl)-β-D-ribo-hexopyranuronate de méthyle [French] [ACD/IUPAC Name]
Methyl (3ξ)-2,3,4-tri-O-isobutyryl-1-O-(2,2,2-trichloroethanimidoyl)-β-D-ribo-hexopyranuronate [ACD/IUPAC Name]
Methyl-(3ξ)-2,3,4-tri-O-isobutyryl-1-O-(2,2,2-trichlorethanimidoyl)-β-D-ribo-hexopyranuronat [German] [ACD/IUPAC Name]
β-D-ribo-Hexopyranuronic acid, 1-O-(2,2,2-trichloro-1-iminoethyl)-, methyl ester, 2,3,4-tris(2-methylpropanoate), (3ξ)- [ACD/Index 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: 506.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.2±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 123.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3616.82
ACD/KOC (pH 5.5): 12264.09
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3617.10
ACD/KOC (pH 7.4): 12265.02
Polar Surface Area: 148 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 393.8±7.0 cm3

Click to predict properties on the Chemicalize site


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