Found 21 results

Search term: MF = 'C_{28}H_{36}N_{2}O_{9}S'
ChemSpider 2D Image | Dimethyl (2E)-2-{[(1E)-3-[1,3-bis(2-methyl-2-propanyl)-1,3-dihydro-2H-imidazol-2-ylidene]-4-methoxy-2-(methoxycarbonyl)-4-oxo-1-(2-thienyl)-1-buten-1-yl]oxy}-2-butenedioate | C28H36N2O9S

Dimethyl (2E)-2-{[(1E)-3-[1,3-bis(2-methyl-2-propanyl)-1,3-dihydro-2H-imidazol-2-ylidene]-4-methoxy-2-(methoxycarbonyl)-4-oxo-1-(2-thienyl)-1-buten-1-yl]oxy}-2-butenedioate

  • Molecular FormulaC28H36N2O9S
  • Average mass576.658 Da
  • Monoisotopic mass576.214172 Da
  • ChemSpider ID9367526

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{[(1E)-3-[1,3-Bis(2-méthyl-2-propanyl)-1,3-dihydro-2H-imidazol-2-ylidène]-4-méthoxy-2-(méthoxycarbonyl)-4-oxo-1-(2-thiényl)-1-butén-1-yl]oxy}-2-butènedioate de diméthyle [French] [ACD/IUPAC Name]
2-Butenedioic acid, 2-[[(1E)-3-[1,3-bis(1,1-dimethylethyl)-1,3-dihydro-2H-imidazol-2-ylidene]-4-methoxy-2-(methoxycarbonyl)-4-oxo-1-(2-thienyl)-1-buten-1-yl]oxy]-, dimethyl ester, (2E)- [ACD/Index Name]
Dimethyl (2E)-2-{[(1E)-3-[1,3-bis(2-methyl-2-propanyl)-1,3-dihydro-2H-imidazol-2-ylidene]-4-methoxy-2-(methoxycarbonyl)-4-oxo-1-(2-thienyl)-1-buten-1-yl]oxy}-2-butenedioate [ACD/IUPAC Name]
Dimethyl-(2E)-2-{[(1E)-3-[1,3-bis(2-methyl-2-propanyl)-1,3-dihydro-2H-imidazol-2-yliden]-4-methoxy-2-(methoxycarbonyl)-4-oxo-1-(2-thienyl)-1-buten-1-yl]oxy}-2-butendioat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 602.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.1±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.65
ACD/KOC (pH 5.5): 467.28
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.66
ACD/KOC (pH 7.4): 467.30
Polar Surface Area: 149 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 462.3±3.0 cm3

Click to predict properties on the Chemicalize site


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