uroporphyrin III

3-[7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid

CAS: 18273-06-8

Molecular Formula	`C40H38N4O16`
Molecular Weight	830.7 g/mol
LogP	-1.0
Topological Polar Surface Area	356.0 A2
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	18
Rotatable Bonds	20
Exact Mass	830.2283
Heavy Atoms	60
Complexity	1630.0

Chemical Identifiers

CAS Number	18273-06-8
SMILES	`C1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)C(=C4CCC(=O)O)CC(=O)O)C(=C3CCC(=O)O)CC(=O)O)N2)CC(=O)O)CCC(=O)O`
InChIKey	`PMCXJBQHQIFCOG-UHFFFAOYSA-N`

📖 Product Overview

uroporphyrin III (CAS: 18273-06-8) is a chemical compound with molecular formula C40H38N4O16 and molecular weight 830.7 g/mol. Its IUPAC systematic name is 3-[7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid. LogP -1.0 Topological Polar Surface Area 356.0 A2 Hydrogen Bond Donors 10 Hydrogen Bond Acceptors 18 Rotatable Bonds 20 Exact Mass 830.2283 Heavy Atoms 60 Complexity 1630.0 InChI Key: PMCXJBQHQIFCOG-UHFFFAOYSA-N. SMILES: C1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)C(=C4CCC(=O)O)CC(=O)O)C(=C3CCC(=O)O)CC(=O)O)N2)CC(=O)O)CCC(=O)O.

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