Basic information
- CAS
2624-63-7- Standard 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- Molecular formula
- C36H44N4O8
- Average molar mass
- 660.8 g/mol
- Monoisotopic mass
- 660.31591437
Names & identifiers
- Preferred name
- Coproporphyrinogen III
- IUPAC
- 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
- English name
- Coproporphyrinogen III
- Molecular formula
- C36H44N4O8
- Molecular weight
- 660.76
Names & synonyms
coproporphyrinogen III2624-63-7coproporphyrinogen-IIIDTXSID40180875CHEBI:154395,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoic acid3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropionic acid3-[8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoate3-(8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl)propanoic acid3-(9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo(16.2.1.1^(3,6).1^(8,11).1^(13,16))tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl)propanoic acid
Show more names
5,10,15,20,22,24-Hexahydrocoproporphyrin III5,10,15,20,22,24-Hexahydro-3,8,13,17-tetramethyl-21H,23H-porphyrin-2,7,12,18-tetrapropanoic acid
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,170
Physicochemical properties
- Boiling point
- 961 · 961.0±60.0 °C(Predicted)
- Density
- 1.358 · 1.358±0.06 g/cm3(Predicted)
- pka
- 4.7 · 4.70±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
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Additional notes
DefinitionChEBI: Coproporphyrinogen III is a coproporphyrinogen. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a coproporphyrinogen III(4-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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