ChemSpider 2D Image | N-(4-{[(4xi)-2-Acetamido-2-deoxy-4-O-(beta-D-mannopyranosyl)-beta-D-xylo-hexopyranosyl]oxy}phenyl)-2,2,2-trifluoroacetamide | C22H29F3N2O12

N-(4-{[(4ξ)-2-Acetamido-2-deoxy-4-O-(β-D-mannopyranosyl)-β-D-xylo-hexopyranosyl]oxy}phenyl)-2,2,2-trifluoroacetamide

  • Molecular FormulaC22H29F3N2O12
  • Average mass570.467 Da
  • Monoisotopic mass570.167236 Da
  • ChemSpider ID111194

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

Acetamide, N-[4-[[(4ξ)-2-(acetylamino)-2-deoxy-4-O-β-D-mannopyranosyl-β-D-xylo-hexopyranosyl]oxy]phenyl]-2,2,2-trifluoro- [ACD/Index Name]
N-(4-{[(4ξ)-2-Acetamido-2-deoxy-4-O-(β-D-mannopyranosyl)-β-D-xylo-hexopyranosyl]oxy}phenyl)-2,2,2-trifluoroacetamide [ACD/IUPAC Name]
N-(4-{[(4ξ)-2-Acetamido-2-desoxy-4-O-(β-D-mannopyranosyl)-β-D-xylo-hexopyranosyl]oxy}phenyl)-2,2,2-trifluoracetamid [German] [ACD/IUPAC Name]
N-(4-{[(4ξ)-2-Acétamido-2-désoxy-4-O-(β-D-mannopyranosyl)-β-D-xylo-hexopyranosyl]oxy}phényl)-2,2,2-trifluoroacétamide [French] [ACD/IUPAC Name]
4-(Trifluoroacetamido)phenyl-2-acetamido-2-deoxy-4-O-β-mannopyranosyl-β-glucopyranoside
92689-45-7 [RN]
Acetamide, N-(4-((2-(acetylamino)-2-deoxy-4-O-β-D-mannopyranosyl-β-D-glucopyranosyl)oxy)phenyl)-2,2,2-trifluoro-, (R)-
Tapadmg

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

Density: 1.6±0.1 g/cm3
Boiling Point: 880.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.0±3.0 kJ/mol
Flash Point: 486.1±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.46
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): -2.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 217 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 351.4±5.0 cm3

Click to predict properties on the Chemicalize site


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