ChemSpider 2D Image | N-(4-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[alpha-D-mannopyranosyl-(1->3)]-beta-D-galactopyranosyl]oxy}phenyl)-2,2,2-trifluoroacetamide | C26H36F3NO16

N-(4-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[α-D-mannopyranosyl-(1->3)]-β-D-galactopyranosyl]oxy}phenyl)-2,2,2-trifluoroacetamide

  • Molecular FormulaC26H36F3NO16
  • Average mass675.556 Da
  • Monoisotopic mass675.198608 Da
  • ChemSpider ID95602092

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

Acetamide, N-[4-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[α-D-mannopyranosyl-(1->3)]-β-D-galactopyranosyl]oxy]phenyl]-2,2,2-trifluoro- [ACD/Index Name]
N-(4-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[α-D-mannopyranosyl-(1->3)]-β-D-galactopyranosyl]oxy}phenyl)-2,2,2-trifluoroacetamide [ACD/IUPAC Name]
N-(4-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-[α-D-mannopyranosyl-(1->3)]-β-D-galactopyranosyl]oxy}phenyl)-2,2,2-trifluoracetamid [German] [ACD/IUPAC Name]
N-(4-{[6-Désoxy-α-L-mannopyranosyl-(1->2)-[α-D-mannopyranosyl-(1->3)]-β-D-galactopyranosyl]oxy}phényl)-2,2,2-trifluoroacétamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 914.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.4±3.0 kJ/mol
Flash Point: 507.1±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.82
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.79
Polar Surface Area: 267 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 399.1±5.0 cm3

Click to predict properties on the Chemicalize site


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