ChemSpider 2D Image | 2-(3-Acetoxy-2-{[(3-acetoxy-2-pyridinyl)carbonyl](acetyl)amino}phenyl)-1,3-benzoxazole-4-carboxylic acid | C26H19N3O9

2-(3-Acetoxy-2-{[(3-acetoxy-2-pyridinyl)carbonyl](acetyl)amino}phenyl)-1,3-benzoxazole-4-carboxylic acid

  • Molecular FormulaC26H19N3O9
  • Average mass517.444 Da
  • Monoisotopic mass517.112122 Da
  • ChemSpider ID117672

More details:

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

2-(3-Acetoxy-2-{[(3-acetoxy-2-pyridinyl)carbonyl](acetyl)amino}phenyl)-1,3-benzoxazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-(3-Acetoxy-2-{[(3-acetoxy-2-pyridinyl)carbonyl](acetyl)amino}phenyl)-1,3-benzoxazole-4-carboxylic acid [ACD/IUPAC Name]
4-Benzoxazolecarboxylic acid, 2-[2-[acetyl[[3-(acetyloxy)-2-pyridinyl]carbonyl]amino]-3-(acetyloxy)phenyl]- [ACD/Index Name]
Acide 2-(3-acétoxy-2-{[(3-acétoxy-2-pyridinyl)carbonyl](acétyl)amino}phényl)-1,3-benzoxazole-4-carboxylique [French] [ACD/IUPAC Name]
4-BENZOXAZOLECARBOXYLIC ACID 2-(2-(ACETYL((3-(ACETYLOXY)-PYRIDIN-2-YL)CARBONYL)AMINO)-3-(ACETYLOXY)PHENYL)-,(1'A)-
4-Benzoxazolecarboxylic acid, 2-(2-(acetyl((3-(acetyloxy)-2-pyridinyl)carbonyl)amino)-3-(acetyloxy)phenyl)-, (1'α)-
80161-47-3 [RN]
Tetraacetyl A 33853
Tetraacetyl A-33853

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

Density: 1.5±0.1 g/cm3
Boiling Point: 747.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.7±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 130.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 356.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement