ChemSpider 2D Image | 4-[(Trifluoroacetyl)amino]phenyl 2-acetamido-4-O-(2-acetamido-2-deoxy-D-glucopyranosyl)-2-deoxy-D-mannopyranosiduronic acid | C24H30F3N3O13

4-[(Trifluoroacetyl)amino]phenyl 2-acetamido-4-O-(2-acetamido-2-deoxy-D-glucopyranosyl)-2-deoxy-D-mannopyranosiduronic acid

  • Molecular FormulaC24H30F3N3O13
  • Average mass625.503 Da
  • Monoisotopic mass625.173096 Da
  • ChemSpider ID116842

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

4-[(Trifluoracetyl)amino]phenyl-2-acetamido-4-O-(2-acetamido-2-desoxy-D-glucopyranosyl)-2-desoxy-D-mannopyranosiduronsäure [German] [ACD/IUPAC Name]
4-[(Trifluoroacetyl)amino]phenyl 2-acetamido-4-O-(2-acetamido-2-deoxy-D-glucopyranosyl)-2-deoxy-D-mannopyranosiduronic acid [ACD/IUPAC Name]
Acetamide, N-[4-[[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-D-glucopyranosyl]-2-deoxy-D-mannopyranuronosyl]oxy]phenyl]-2,2,2-trifluoro- [ACD/Index Name]
Acide 2-acétamido-4-O-(2-acétamido-2-désoxy-D-glucopyranosyl)-2-désoxy-D-mannopyranosiduronique de 4-[(2,2,2-trifluoroacétyl)amino]phényle [French] [ACD/IUPAC Name]
140686-60-8 [RN]
4-trifluoroacetamidophenyl 2-acetamido-4-O-(2-acetamido-2-deoxyglucopyranosyl)-2-deoxymannopyranosid
4-trifluoroacetamidophenyl 2-acetamido-4-O-(2-acetamido-2-deoxyglucopyranosyl)-2-deoxymannopyranosiduronic acid
b-D-Mannopyranosiduronic acid,4-[(2,2,2-trifluoroacetyl)amino]phenyl2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]-2-deoxy-
Tagdmu

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1008.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.2±3.0 kJ/mol
Flash Point: 563.6±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -3.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 75.0±5.0 dyne/cm
Molar Volume: 387.2±5.0 cm3

Click to predict properties on the Chemicalize site


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