ChemSpider 2D Image | Ethyl (16Z)-3,4,8,9,13,14,19-heptaethyl-18-ethylidene-3,4,20,21-tetradehydro-18,19,24,25-tetrahydrophorbine-20-carboxylate | C41H50N4O2

Ethyl (16Z)-3,4,8,9,13,14,19-heptaethyl-18-ethylidene-3,4,20,21-tetradehydro-18,19,24,25-tetrahydrophorbine-20-carboxylate

  • Molecular FormulaC41H50N4O2
  • Average mass630.861 Da
  • Monoisotopic mass630.393372 Da
  • ChemSpider ID4945379

  • 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-3,4,8,9,13,14,19-heptaethyl-18-ethylidene-18,19,24,25-tetrahydro-, ethyl ester, (16Z)- [ACD/Index Name]
Ethyl (16Z)-3,4,8,9,13,14,19-heptaethyl-18-ethylidene-3,4,20,21-tetradehydro-18,19,24,25-tetrahydrophorbine-20-carboxylate [ACD/IUPAC Name]
Ethyl-(16Z)-3,4,8,9,13,14,19-heptaethyl-18-ethyliden-3,4,20,21-tetradehydro-18,19,24,25-tetrahydrophorbin-20-carboxylat [German] [ACD/IUPAC Name]
107634-78-6 [RN]
NT1 Purpurin
NT-1 Purpurin
Purpurin NT 1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 900.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.9±3.0 kJ/mol
Flash Point: 498.1±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 190.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.29
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: 75.5±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 547.2±3.0 cm3

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