ChemSpider 2D Image | N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2-hydroxyphenyl)-N-[3-({[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide | C35H39N5O9

N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2-hydroxyphenyl)-N-[3-({[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide

  • Molecular FormulaC35H39N5O9
  • Average mass673.712 Da
  • Monoisotopic mass673.274780 Da
  • ChemSpider ID78444061

More details:

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

4-Oxazolecarboxamide, N-[3-[[[4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl-4-oxazolyl]carbonyl]amino]propyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl- [ACD/Index Name]
N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2-hydroxyphenyl)-N-[3-({[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2-hydroxyphenyl)-N-[3-({[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide [ACD/IUPAC Name]
N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2-hydroxyphényl)-N-[3-({[2-(2-hydroxyphényl)-5-méthyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-méthyl-4,5-dihydro-1,3-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
Vulnibactin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 964.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.3±3.0 kJ/mol
Flash Point: 537.2±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 175.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.68
ACD/KOC (pH 5.5): 453.39
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 32.76
ACD/KOC (pH 7.4): 404.98
Polar Surface Area: 203 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 473.8±7.0 cm3

Click to predict properties on the Chemicalize site


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