ChemSpider 2D Image | (2R,3E)-2-{4-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butanoic acid | C25H28N2O5

(2R,3E)-2-{4-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butanoic acid

  • Molecular FormulaC25H28N2O5
  • Average mass436.500 Da
  • Monoisotopic mass436.199829 Da
  • ChemSpider ID25061179

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R,3E)-2-{4-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butanoic acid [ACD/IUPAC Name]
(2R,3E)-2-{4-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butansäure [German] [ACD/IUPAC Name]
Acide (2R,3E)-2-{4-[(5-méthyl-2-phényl-1,3-oxazol-4-yl)méthoxy]benzyl}-3-(propoxyimino)butanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]-α-[(1E)-1-(propoxyimino)ethyl]-, (αR)- [ACD/Index Name]
MMB

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.8±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 121.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 13.67
ACD/KOC (pH 5.5): 54.38
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.13
Polar Surface Area: 94 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 370.0±7.0 cm3

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