ChemSpider 2D Image | Methyl 2-deoxy-4-O-{2-deoxy-2-[(trifluoroacetyl)amino]-beta-D-glucopyranosyl}-2-[(trifluoroacetyl)amino]-beta-D-glucopyranoside | C17H24F6N2O11

Methyl 2-deoxy-4-O-{2-deoxy-2-[(trifluoroacetyl)amino]-β-D-glucopyranosyl}-2-[(trifluoroacetyl)amino]-β-D-glucopyranoside

  • Molecular FormulaC17H24F6N2O11
  • Average mass546.370 Da
  • Monoisotopic mass546.128418 Da
  • ChemSpider ID169820

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Désoxy-4-O-{2-désoxy-2-[(2,2,2-trifluoroacétyl)amino]-β-D-glucopyranosyl}-2-[(2,2,2-trifluoroacétyl)amino]-β-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 2-deoxy-4-O-{2-deoxy-2-[(trifluoroacetyl)amino]-β-D-glucopyranosyl}-2-[(trifluoroacetyl)amino]-β-D-glucopyranoside [ACD/IUPAC Name]
Methyl-2-desoxy-4-O-{2-desoxy-2-[(trifluoracetyl)amino]-β-D-glucopyranosyl}-2-[(trifluoracetyl)amino]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, methyl 2-deoxy-4-O-[2-deoxy-2-[(2,2,2-trifluoroacetyl)amino]-β-D-glucopyranosyl]-2-[(2,2,2-trifluoroacetyl)amino]- [ACD/Index Name]
(CF3)2CB
1-O-METHYL-DI-N-TRIFLUOROACETYL-SS-CHITOBIOSIDE
1-O-Methyl-di-N-trifluoroacetyl-β-chitobioside
76418-42-3 [RN]
β-D-Glucopyranoside, methyl 2-deoxy-4-O-(2-deoxy-2-((trifluoroacetyl)amino)-β-D-glucopyranosyl)-2-((trifluoroacetyl)amino)-

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

Density: 1.7±0.1 g/cm3
Boiling Point: 747.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.4±6.0 kJ/mol
Flash Point: 406.0±32.9 °C
Index of Refraction: 1.519
Molar Refractivity: 99.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.96
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.27
Polar Surface Area: 196 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 327.5±5.0 cm3

Click to predict properties on the Chemicalize site


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