ChemSpider 2D Image | Methyl 14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethyl-2-hexadecen-1-yl)oxy]propyl}-9-vinyl-24,25-dihydro-21-phorbinecarboxylate | C55H72N4O6

Methyl 14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethyl-2-hexadecen-1-yl)oxy]propyl}-9-vinyl-24,25-dihydro-21-phorbinecarboxylate

  • Molecular FormulaC55H72N4O6
  • Average mass885.183 Da
  • Monoisotopic mass884.545166 Da
  • ChemSpider ID4678010

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-24,25-dihydro-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecen-1-yl ester [ACD/Index Name]
Methyl 14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethyl-2-hexadecen-1-yl)oxy]propyl}-9-vinyl-24,25-dihydro-21-phorbinecarboxylate [ACD/IUPAC Name]
Methyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethyl-2-hexadecen-1-yl)oxy]propyl}-9-vinyl-24,25-dihydro-21-phorbincarboxylat [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: 1050.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.0±3.0 kJ/mol
Flash Point: 589.0±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 253.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 14.90
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 144 Å2
Polarizability: 100.6±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 759.0±5.0 cm3

Click to predict properties on the Chemicalize site


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