Coproporphyrin I

3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid

CAS: 531-14-6

Molecular Formula	`C36H38N4O8`
Molecular Weight	654.7 g/mol
LogP	2.6
Topological Polar Surface Area	207.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	654.269
Heavy Atoms	48
Complexity	1170.0

Chemical Identifiers

CAS Number	531-14-6
SMILES	`CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O)CCC(=O)O`
InChIKey	`VCCUOZSDXVZCSK-UHFFFAOYSA-N`

📖 Product Overview

Coproporphyrin I (CAS: 531-14-6) is a chemical compound with molecular formula C36H38N4O8 and molecular weight 654.7 g/mol. Its IUPAC systematic name is 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid. LogP 2.6 Topological Polar Surface Area 207.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 10 Rotatable Bonds 12 Exact Mass 654.269 Heavy Atoms 48 Complexity 1170.0 InChI Key: VCCUOZSDXVZCSK-UHFFFAOYSA-N. SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O)CCC(=O)O.

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