ChemSpider 2D Image | Methyl (3S,4S,21R)-14-ethyl-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-24,25-dihydro-21-phorbinecarboxylate | C36H38N4O5

Methyl (3S,4S,21R)-14-ethyl-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-24,25-dihydro-21-phorbinecarboxylate

  • Molecular FormulaC36H38N4O5
  • Average mass606.711 Da
  • Monoisotopic mass606.284241 Da
  • ChemSpider ID8457813

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Methyl (3S,4S,21R)-14-ethyl-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-24,25-dihydro-21-phorbinecarboxylate [ACD/IUPAC Name]
Methyl-(3S,4S,21R)-14-ethyl-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxo-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: 1.3±0.1 g/cm3
Boiling Point: 952.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.7±3.0 kJ/mol
Flash Point: 529.6±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.63
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: 127 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 463.5±5.0 cm3

Click to predict properties on the Chemicalize site


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