ChemSpider 2D Image | Coproporphyrinogen III | C36H44N4O8

Coproporphyrinogen III

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID315

More details:

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

21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl- [ACD/Index Name]
3,3',3'',3'''-(3,8,13,17-Tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl)tetrapropanoic acid [ACD/IUPAC Name]
3,3',3'',3'''-(3,8,13,17-Tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl)tetrapropansäure [German] [ACD/IUPAC Name]
5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-2,7,12,18-Porphinetetrapropionic acid
Acide 3,3',3'',3'''-(3,8,13,17-tétraméthyl-5,10,15,20,22,24-hexahydroporphyrine-2,7,12,18-tétrayl)tetrapropanoïque [French] [ACD/IUPAC Name]
Coproporphyrinogen III [Wiki]
16993-50-3 [RN]
2,7,12,18-Porphinetetrapropionic acid, 5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-
2624-63-7 [RN]

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

C03263 [DBID]
CHEBI:15439 [DBID]
  • Miscellaneous
    • Toxicity:

      Organic Compound; Food Toxin; Metabolite; Animal Toxin; Natural Compound Toxin, Toxin-Target Database T3D4438

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

Density: 1.4±0.1 g/cm3
Boiling Point: 961.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.6±3.0 kJ/mol
Flash Point: 535.0±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 176.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.43
ACD/LogD (pH 7.4): -2.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 486.3±3.0 cm3

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