Coproporphyrin II
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Basic information
- CAS
3082-03-9- Standard SMILES
CC1=C(CCC(=O)O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5CCC(=O)O)c(CCC(=O)O)c4C)c(C)c3CCC(=O)O- InChIKey
WBRBPZMVKKDPIT-GDDAKTJHSA-N- Molecular formula
- C36H38N4O8
- Average molar mass
- 654.7 g/mol
- Monoisotopic mass
- 654.26896418
Overview
Coproporphyrin II is a member of porphyrins.
Names & identifiers
- Preferred name
- Coproporphyrin II
- IUPAC
- 3-[8,12,18-tris(2-carboxyethyl)-3,7,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid
- English name
- 3,7,13,17-tetramethyl-21H,23H-Porphine-2,8,12,18-tetrapropanoic acid
- Molecular formula
- C36H38N4O8
- Molecular weight
- 654.71
Names & synonyms
Coproporphyrin II3082-03-93-[8,12,18-tris(2-carboxyethyl)-3,7,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid21H,23H-Porphine-2,8,12,18-tetrapropanoic acid, 3,7,13,17-tetramethyl-SCHEMBL1547339CHEBI:1972803,7,13,17-tetramethyl-21H,23H-Porphine-2,8,12,18-tetrapropanoic acid
Database identifiers
- CAS
3082-03-9- PubChem CID
- 165072
- ChEBI
CHEBI:197280- Nikkaji
- J22.563K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
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Compound notes
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