ChemSpider 2D Image | 3,3',3'',3'''-[3,8,13,18-Tetrakis(carboxymethyl)-21-methyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrayl]tetrapropanoic acid | C41H46N4O16

3,3',3'',3'''-[3,8,13,18-Tetrakis(carboxymethyl)-21-methyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrayl]tetrapropanoic acid

  • Molecular FormulaC41H46N4O16
  • Average mass850.821 Da
  • Monoisotopic mass850.290894 Da
  • ChemSpider ID9942745

More details:






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

21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-21-methyl- [ACD/Index Name]
3,3',3'',3'''-[3,8,13,18-Tetrakis(carboxymethyl)-21-methyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrayl]tetrapropanoic acid [ACD/IUPAC Name]
3,3',3'',3'''-[3,8,13,18-Tetrakis(carboxymethyl)-21-methyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrayl]tetrapropansäure [German] [ACD/IUPAC Name]
Acide 3,3',3'',3'''-[3,8,13,18-tétrakis(carboxyméthyl)-21-méthyl-5,10,15,20,22,24-hexahydroporphyrine-2,7,12,17-tétrayl]tetrapropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1154.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 178.6±3.0 kJ/mol
Flash Point: 652.2±32.9 °C
Index of Refraction: 1.706
Molar Refractivity: 205.3±0.5 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -6.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 351 Å2
Polarizability: 81.4±0.5 10-24cm3
Surface Tension: 72.3±7.0 dyne/cm
Molar Volume: 528.0±7.0 cm3

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