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Coproporphyrinogen III
Coproporphyrinogen III · 5,10,15,20,22,24-Hexahydrocoproporphyrin III · 5,10,15,20,22,24-Hexahydro-3,8,13,17-tetramethyl-21H,23H-porphyrin-2,7,12,18-tetrapropanoic acid · 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl- · 2,7,12,18-Tetrakis(3-oxo-3-hydroxypropyl)-3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydro-21H,23H-porphyrin · 3-[8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid
Identifikatoren & physikalische Daten
| CAS No. | 2624-63-7 |
|---|---|
| Summenformel | C36H44N4O8 |
| Durchschnittliche Molmasse | 660,8 g/mol |
| Monoisotopische Masse | 660,31591437 g/mol |
| SMILES | Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)C2 |
| InChIKey | NIUVHXTXUXOFEB-UHFFFAOYSA-N |
| PubChem CID | 321 |
| ChEMBL | CHEMBL1231891 |
| ChEBI | CHEBI:15439 |
| DTXSID | DTXSID40180875 |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 212 |
| H-Brücken-Donoren | 8 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 48 |
| Formalladung | 0 |
| Komplexität | 1.170 |
| Siedepunkt | 961.0±60.0 °C(Predicted) |
| Dichte | 1.358±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 4.70±0.10(Predicted) |