ChemSpider 2D Image | Ethyl N-{(1R)-1-(~2~H_11_)cyclohexyl-2-[(2S)-2-{[4-(N-hydroxycarbamimidoyl)benzyl]carbamoyl}-1-azetidinyl]-2-oxoethyl}glycinate | C24H24D11N5O5

Ethyl N-{(1R)-1-(2H11)cyclohexyl-2-[(2S)-2-{[4-(N-hydroxycarbamimidoyl)benzyl]carbamoyl}-1-azetidinyl]-2-oxoethyl}glycinate

  • Molecular FormulaC24H24D11N5O5
  • Average mass484.633 Da
  • Monoisotopic mass484.332855 Da
  • ChemSpider ID107441696

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Ethyl N-{(1R)-1-(2H11)cyclohexyl-2-[(2S)-2-{[4-(N-hydroxycarbamimidoyl)benzyl]carbamoyl}-1-azetidinyl]-2-oxoethyl}glycinate [ACD/IUPAC Name]
Ethyl-N-{(1R)-1-(2H11)cyclohexyl-2-[(2S)-2-{[4-(N-hydroxycarbamimidoyl)benzyl]carbamoyl}-1-azetidinyl]-2-oxoethyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[(1R)-1-(cyclohexyl-d11)-2-[(2S)-2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]-, ethyl ester [ACD/Index Name]
N-{(1R)-1-(2H11)Cyclohexyl-2-[(2S)-2-{[4-(N-hydroxycarbamimidoyl)benzyl]carbamoyl}-1-azétidinyl]-2-oxoéthyl}glycinate d'éthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 125.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.08
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.40
Polar Surface Area: 144 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 349.4±7.0 cm3

Click to predict properties on the Chemicalize site


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