ChemSpider 2D Image | Hexacarboxylporphyrin III | C38H38N4O12

Hexacarboxylporphyrin III

  • Molecular FormulaC38H38N4O12
  • Average mass742.728 Da
  • Monoisotopic mass742.248596 Da
  • ChemSpider ID13628279

  • Double-bond stereo - Double-bond stereo

More details:

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

Hexacarboxylporphyrin III
3,3',3'',3'''-[8,17-Bis(carboxymethyl)-3,13-dimethyl-2,7,12,18-porphyrintetrayl]tetrapropansäure [German] [ACD/IUPAC Name]
Acide 3,3',3'',3'''-[8,17-bis(carboxyméthyl)-3,13-diméthyl-2,7,12,18-porphyrinetétrayl]tetrapropanoïque [French] [ACD/IUPAC Name]
Hexacarboxylic acid porphyrin III
Hexacarboxyporphyrin III

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

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

Density: 1.5±0.0 g/cm3
Boiling Point: 1410.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 224.9±0.0 kJ/mol
Flash Point: 806.9±0.0 °C
Index of Refraction: 1.654
Molar Refractivity: 184.5±0.0 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.65
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: 281 Å2
Polarizability: 73.2±0.0 10-24cm3
Surface Tension: 79.7±0.0 dyne/cm
Molar Volume: 503.5±0.0 cm3

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