ChemSpider 2D Image | (2R,3S)-N-[(2S)-1-(Benzylamino)-1-oxo-3-phenyl-2-propanyl]-N'-[2-(4-hydroxyphenyl)ethyl]-2,3-oxiranedicarboxamide | C28H29N3O5

(2R,3S)-N-[(2S)-1-(Benzylamino)-1-oxo-3-phenyl-2-propanyl]-N'-[2-(4-hydroxyphenyl)ethyl]-2,3-oxiranedicarboxamide

  • Molecular FormulaC28H29N3O5
  • Average mass487.547 Da
  • Monoisotopic mass487.210724 Da
  • ChemSpider ID58122334

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S)-N-[(2S)-1-(Benzylamino)-1-oxo-3-phenyl-2-propanyl]-N'-[2-(4-hydroxyphenyl)ethyl]-2,3-oxirandicarboxamid [German] [ACD/IUPAC Name]
(2R,3S)-N-[(2S)-1-(Benzylamino)-1-oxo-3-phenyl-2-propanyl]-N'-[2-(4-hydroxyphenyl)ethyl]-2,3-oxiranedicarboxamide [ACD/IUPAC Name]
(2R,3S)-N-[(2S)-1-(Benzylamino)-1-oxo-3-phényl-2-propanyl]-N'-[2-(4-hydroxyphényl)éthyl]-2,3-oxiranedicarboxamide [French] [ACD/IUPAC Name]
2,3-Oxiranedicarboxamide, N2-[2-(4-hydroxyphenyl)ethyl]-N3-[(1S)-2-oxo-1-(phenylmethyl)-2-[(phenylmethyl)amino]ethyl]-, (2S,3R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3348944/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 891.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.1±3.0 kJ/mol
Flash Point: 493.2±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.98
ACD/KOC (pH 5.5): 275.32
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.94
ACD/KOC (pH 7.4): 274.61
Polar Surface Area: 120 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 377.3±3.0 cm3

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