Mesoporphyrin IX

3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

CAS: 493-90-3

Molecular Formula	`C34H38N4O4`
Molecular Weight	566.7 g/mol
LogP	4.7
Topological Polar Surface Area	132.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	566.2893
Heavy Atoms	42
Complexity	949.0

Chemical Identifiers

CAS Number	493-90-3
SMILES	`CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C`
InChIKey	`NCAJWYASAWUEBY-UHFFFAOYSA-N`

📖 Product Overview

Mesoporphyrin IX (CAS: 493-90-3) is a chemical compound with molecular formula C34H38N4O4 and molecular weight 566.7 g/mol. Its IUPAC systematic name is 3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid. LogP 4.7 Topological Polar Surface Area 132.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 566.2893 Heavy Atoms 42 Complexity 949.0 InChI Key: NCAJWYASAWUEBY-UHFFFAOYSA-N. SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C.

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