ChemSpider 2D Image | 3,3',3'',3'''-[3,7,12,17-Tetrakis(carboxymethyl)-6,10,11,15,16,20-hexahydro-1H,5H-porphine-2,8,13,18-tetrayl]tetrapropanoic acid | C40H44N4O16

3,3',3'',3'''-[3,7,12,17-Tetrakis(carboxymethyl)-6,10,11,15,16,20-hexahydro-1H,5H-porphine-2,8,13,18-tetrayl]tetrapropanoic acid

  • Molecular FormulaC40H44N4O16
  • Average mass836.795 Da
  • Monoisotopic mass836.275208 Da
  • ChemSpider ID114796636

More details:

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

1H,5H-Porphine-2,8,13,18-tetrapropanoic acid, 3,7,12,17-tetrakis(carboxymethyl)-6,10,11,15,16,20-hexahydro- [ACD/Index Name]
3,3',3'',3'''-[3,7,12,17-Tetrakis(carboxymethyl)-6,10,11,15,16,20-hexahydro-1H,5H-porphin-2,8,13,18-tetrayl]tetrapropansäure [German] [ACD/IUPAC Name]
3,3',3'',3'''-[3,7,12,17-Tetrakis(carboxymethyl)-6,10,11,15,16,20-hexahydro-1H,5H-porphine-2,8,13,18-tetrayl]tetrapropanoic acid [ACD/IUPAC Name]
Acide 3,3',3'',3'''-[3,7,12,17-tétrakis(carboxyméthyl)-6,10,11,15,16,20-hexahydro-1H,5H-porphine-2,8,13,18-tétrayl]tetrapropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1173.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 187.8±6.0 kJ/mol
Flash Point: 663.5±34.3 °C
Index of Refraction: 1.719
Molar Refractivity: 200.0±0.5 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -2.23
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: 348 Å2
Polarizability: 79.3±0.5 10-24cm3
Surface Tension: 75.6±7.0 dyne/cm
Molar Volume: 506.8±7.0 cm3

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