ChemSpider 2D Image | Hexacarboxylporphyrin I | C38H38N4O12

Hexacarboxylporphyrin I

  • Molecular FormulaC38H38N4O12
  • Average mass742.728 Da
  • Monoisotopic mass742.248596 Da
  • ChemSpider ID13628139

  • Double-bond stereo - Double-bond stereo

More details:

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

Hexacarboxylporphyrin I
3,3',3'',3'''-[3,8-Bis(carboxymethyl)-13,18-dimethyl-2,7,12,17-porphyrintetrayl]tetrapropansäure [German] [ACD/IUPAC Name]
73913-56-1 [RN]
Acide 3,3',3'',3'''-[3,8-bis(carboxyméthyl)-13,18-diméthyl-2,7,12,17-porphyrinetétrayl]tetrapropanoïque [French] [ACD/IUPAC Name]
Hexacarboxylic acid prophyrin I
Hexacarboxyporphyrin I
Hexaporphyrin I

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

C05330 [DBID]

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

Density: 1.5±0.0 g/cm3
Boiling Point: 1399.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 222.7±0.0 kJ/mol
Flash Point: 800.1±0.0 °C
Index of Refraction: 1.656
Molar Refractivity: 184.6±0.0 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.53
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: 80.3±0.0 dyne/cm
Molar Volume: 502.4±0.0 cm3

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