ChemSpider 2D Image | (2s,3s)-1-(4-Methoxyphenyl)-3-(3-(2-(5-Methyl-2-Phenyloxazol-4-Yl)ethoxy)benzyl)-4-Oxoazetidine-2-Carboxylic Acid | C30H28N2O6

(2s,3s)-1-(4-Methoxyphenyl)-3-(3-(2-(5-Methyl-2-Phenyloxazol-4-Yl)ethoxy)benzyl)-4-Oxoazetidine-2-Carboxylic Acid

  • Molecular FormulaC30H28N2O6
  • Average mass512.553 Da
  • Monoisotopic mass512.194763 Da
  • ChemSpider ID8567126

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2s,3s)-1-(4-Methoxyphenyl)-3-(3-(2-(5-Methyl-2-Phenyloxazol-4-Yl)ethoxy)benzyl)-4-Oxoazetidine-2-Carboxylic Acid
(2S,3S)-1-(4-Methoxyphenyl)-3-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-4-oxo-2-azetidincarbonsäure [German] [ACD/IUPAC Name]
(2S,3S)-1-(4-Methoxyphenyl)-3-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-4-oxo-2-azetidinecarboxylic acid [ACD/IUPAC Name]
2-Azetidinecarboxylic acid, 1-(4-methoxyphenyl)-3-[[3-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]-4-oxo-, (2S,3S)- [ACD/Index Name]
Acide (2S,3S)-1-(4-méthoxyphényl)-3-{3-[2-(5-méthyl-2-phényl-1,3-oxazol-4-yl)éthoxy]benzyl}-4-oxo-2-azétidinecarboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL271240/
REW

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

Density: 1.3±0.1 g/cm3
Boiling Point: 794.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 434.4±35.7 °C
Index of Refraction: 1.622
Molar Refractivity: 139.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 3.97
ACD/KOC (pH 5.5): 17.45
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.34
Polar Surface Area: 102 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 396.1±3.0 cm3

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