ChemSpider 2D Image | O4-benzyl O2-ethyl 5-(3-benzyloxy-2-benzyloxycarbonyl-3-oxo-prop-1-enyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate | C34H31NO8

O4-benzyl O2-ethyl 5-(3-benzyloxy-2-benzyloxycarbonyl-3-oxo-prop-1-enyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate

  • Molecular FormulaC34H31NO8
  • Average mass581.612 Da
  • Monoisotopic mass581.204956 Da
  • ChemSpider ID21127296

More details:

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

4-Benzyl-2-ethyl-5-{3-(benzyloxy)-2-[(benzyloxy)carbonyl]-3-oxo-1-propen-1-yl}-3-methyl-1H-pyrrol-2,4-dicarboxylat [German] [ACD/IUPAC Name]
5-{3-(Benzyloxy)-2-[(benzyloxy)carbonyl]-3-oxo-1-propén-1-yl}-3-méthyl-1H-pyrrole-2,4-dicarboxylate de 4-benzyle et de 2-éthyle [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: 734.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.7±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 160.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.58
ACD/LogD (pH 5.5): 7.14
ACD/BCF (pH 5.5): 155900.23
ACD/KOC (pH 5.5): 181391.50
ACD/LogD (pH 7.4): 7.14
ACD/BCF (pH 7.4): 155899.72
ACD/KOC (pH 7.4): 181390.91
Polar Surface Area: 121 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 455.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement