ChemSpider 2D Image | Ethyl 3,4,8,9,13,14,18,19-octaethyl-3,4,20,21-tetradehydro-18,19,24,25-tetrahydrophorbine-20-carboxylate | C41H52N4O2

Ethyl 3,4,8,9,13,14,18,19-octaethyl-3,4,20,21-tetradehydro-18,19,24,25-tetrahydrophorbine-20-carboxylate

  • Molecular FormulaC41H52N4O2
  • Average mass632.877 Da
  • Monoisotopic mass632.408997 Da
  • ChemSpider ID4589191

  • Double-bond stereo - Double-bond stereo

More details:

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

20-Phorbinecarboxylic acid, 3,4,20,21-tetradehydro-3,4,8,9,13,14,18,19-octaethyl-18,19,24,25-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 3,4,8,9,13,14,18,19-octaethyl-3,4,20,21-tetradehydro-18,19,24,25-tetrahydrophorbine-20-carboxylate [ACD/IUPAC Name]
Ethyl-3,4,8,9,13,14,18,19-octaethyl-3,4,20,21-tetradehydro-18,19,24,25-tetrahydrophorbin-20-carboxylat [German] [ACD/IUPAC Name]
20-Phorbinecarboxylic acid, 3,4,20,21-tetradehydro-3,4,8,9,13,14,18,19-octaethyl-18,19-dihydro-, ethyl ester [ACD/Index Name]
99128-91-3 [RN]
NT2 Purpurin
NT-2 Purpurin
Purpurin NT 2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 880.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 486.3±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 189.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 13.55
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: 84 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 567.6±3.0 cm3

Click to predict properties on the Chemicalize site


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