ChemSpider 2D Image | Ethyl (2S)-2-({[(2S,3S)-5-[(1E)-3-{[(2S)-1-ethoxy-1-oxo-2-propanyl]amino}-3-oxo-1-propen-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbonyl}amino)propanoate (non-pref erred name) | C30H36N2O10

Ethyl (2S)-2-({[(2S,3S)-5-[(1E)-3-{[(2S)-1-ethoxy-1-oxo-2-propanyl]amino}-3-oxo-1-propen-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbonyl}amino)propanoate (non-pref erred name)

  • Molecular FormulaC30H36N2O10
  • Average mass584.614 Da
  • Monoisotopic mass584.237000 Da
  • ChemSpider ID9170679

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-({[(2S,3S)-5-[(1E)-3-{[(2S)-1-Éthoxy-1-oxo-2-propanyl]amino}-3-oxo-1-propén-1-yl]-2-(4-hydroxy-3-méthoxyphényl)-7-méthoxy-2,3-dihydro-1-benzofuran-3-yl]carbonyl}amino)propanoate d'éthyle (non-p referred name) [French] [ACD/IUPAC Name]
Ethyl (2S)-2-({[(2S,3S)-5-[(1E)-3-{[(2S)-1-ethoxy-1-oxo-2-propanyl]amino}-3-oxo-1-propen-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbonyl}amino)propanoate (non-pref erred name) [ACD/IUPAC Name]
Ethyl-(2S)-2-({[(2S,3S)-5-[(1E)-3-{[(2S)-1-ethoxy-1-oxo-2-propanyl]amino}-3-oxo-1-propen-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]carbonyl}amino)propanoat (non-prefe rred name) [German] [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: 778.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 424.4±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 152.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.90
ACD/KOC (pH 5.5): 367.29
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.79
ACD/KOC (pH 7.4): 365.77
Polar Surface Area: 159 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 463.4±3.0 cm3

Click to predict properties on the Chemicalize site


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