ChemSpider 2D Image | Cyclohexyl 3,4,6-tri-O-acetyl-2-deoxy-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}-beta-D-glucopyranoside | C21H30Cl3NO10

Cyclohexyl 3,4,6-tri-O-acetyl-2-deoxy-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}-β-D-glucopyranoside

  • Molecular FormulaC21H30Cl3NO10
  • Average mass562.823 Da
  • Monoisotopic mass561.093506 Da
  • ChemSpider ID10002508

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3,4,6-Tri-O-acétyl-2-désoxy-2-{[(2,2,2-trichloroéthoxy)carbonyl]amino}-β-D-glucopyranoside de cyclohexyle [French] [ACD/IUPAC Name]
Cyclohexyl 3,4,6-tri-O-acetyl-2-deoxy-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}-β-D-glucopyranoside [ACD/IUPAC Name]
Cyclohexyl-3,4,6-tri-O-acetyl-2-desoxy-2-{[(2,2,2-trichlorethoxy)carbonyl]amino}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, cyclohexyl 2-deoxy-2-[[(2,2,2-trichloroethoxy)carbonyl]amino]-, 3,4,6-triacetate [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: 602.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.4±31.5 °C
Index of Refraction: 1.525
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1290.71
ACD/KOC (pH 5.5): 5865.29
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1257.85
ACD/KOC (pH 7.4): 5715.98
Polar Surface Area: 136 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 405.3±5.0 cm3

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