ChemSpider 2D Image | N-[(2S,3S)-3-Hydroxy-1-(hydroxyamino)-1-oxo-2-butanyl]-4-(phenylethynyl)benzamide | C19H18N2O4

N-[(2S,3S)-3-Hydroxy-1-(hydroxyamino)-1-oxo-2-butanyl]-4-(phenylethynyl)benzamide

  • Molecular FormulaC19H18N2O4
  • Average mass338.357 Da
  • Monoisotopic mass338.126648 Da
  • ChemSpider ID30817285

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[(1S,2S)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl]-4-(2-phenylethynyl)- [ACD/Index Name]
N-[(2S,3S)-3-Hydroxy-1-(hydroxyamino)-1-oxo-2-butanyl]-4-(phenylethinyl)benzamid [German] [ACD/IUPAC Name]
N-[(2S,3S)-3-Hydroxy-1-(hydroxyamino)-1-oxo-2-butanyl]-4-(phenylethynyl)benzamide [ACD/IUPAC Name]
N-[(2S,3S)-3-Hydroxy-1-(hydroxyamino)-1-oxo-2-butanyl]-4-(phényléthynyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.54
ACD/KOC (pH 5.5): 187.82
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.43
ACD/KOC (pH 7.4): 185.88
Polar Surface Area: 99 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 252.8±5.0 cm3

Click to predict properties on the Chemicalize site


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