ChemSpider 2D Image | 3-(9,14-Diethyl-4,8,13,18-tetramethyl-20-oxo-3,4-didehydro-3--24,25-dihydrophorbinyl)propanoic acid | C33H34N4O3

3-(9,14-Diethyl-4,8,13,18-tetramethyl-20-oxo-3,4-didehydro-3--24,25-dihydrophorbinyl)propanoic acid

  • Molecular FormulaC33H34N4O3
  • Average mass534.648 Da
  • Monoisotopic mass534.263062 Da
  • ChemSpider ID4587023
  • Double-bond stereo - Double-bond stereo

More details:

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

3-(9,14-Diethyl-4,8,13,18-tetramethyl-20-oxo-3,4-didehydro-3--24,25-dihydrophorbinyl)propanoic acid [ACD/IUPAC Name]
3-(9,14-Diethyl-4,8,13,18-tetramethyl-20-oxo-3,4-didehydro-3--24,25-dihydrophorbinyl)propansäure [German] [ACD/IUPAC Name]
3-Phorbinepropanoic acid, 3,4-didehydro-9,14-diethyl-24,25-dihydro-4,8,13,18-tetramethyl-20-oxo- [ACD/Index Name]
127367-08-2 [RN]
26359-43-3 [RN]
3,4-Didehydro-9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropionic acid
3-Phorbinepropanoic acid, 3,4-didehydro-9,14-diethyl-4,8,13,18-tetramethyl-20-oxo- [ACD/Index Name]
484-45-7 [RN]

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

AIDS058020 [DBID]
AIDS-058020 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1110.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.1±3.0 kJ/mol
Flash Point: 625.6±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 149.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.60
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: 112 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 399.9±5.0 cm3

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