Found 10 results

Search term: MF = 'C_{42}H_{46}N_{4}O_{16}'
ChemSpider 2D Image | 3,3',3'',3'''-[3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid | C42H46N4O16

3,3',3'',3'''-[3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid

  • Molecular FormulaC42H46N4O16
  • Average mass862.832 Da
  • Monoisotopic mass862.290894 Da
  • ChemSpider ID5033

More details:

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

21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(carboxymethyl)-8,13,22,24-tetrahydro-8,13-dimethyl- [ACD/Index Name]
3,3',3'',3'''-[3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid [ACD/IUPAC Name]
3,3',3'',3'''-[3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropansäure [German] [ACD/IUPAC Name]
Acide 3,3',3'',3'''-[3,8,13,17-tétrakis(carboxyméthyl)-8,13-diméthyl-8,13,22,24-tétrahydroporphyrine-2,7,12,18-tétrayl]tetrapropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1333.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 210.5±3.0 kJ/mol
Flash Point: 760.5±34.3 °C
Index of Refraction: 1.713
Molar Refractivity: 209.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -2.96
ACD/LogD (pH 5.5): -10.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 350 Å2
Polarizability: 83.1±0.5 10-24cm3
Surface Tension: 100.7±5.0 dyne/cm
Molar Volume: 535.1±5.0 cm3

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