ChemSpider 2D Image | 3-[(3S,4S,21S)-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-24,25-dihydro-3-phorbinyl]propanoic acid | C35H36N4O5

3-[(3S,4S,21S)-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-24,25-dihydro-3-phorbinyl]propanoic acid

  • Molecular FormulaC35H36N4O5
  • Average mass592.684 Da
  • Monoisotopic mass592.268555 Da
  • ChemSpider ID9225394
  • 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

3-[(3S,4S,21S)-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-24,25-dihydro-3-phorbinyl]propanoic acid [ACD/IUPAC Name]
3-[(3S,4S,21S)-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-24,25-dihydro-3-phorbinyl]propansäure [German] [ACD/IUPAC Name]
3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-24,25-dihydro-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 1014.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.2±3.0 kJ/mol
Flash Point: 567.3±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.16
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: 138 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 438.7±5.0 cm3

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