Uroporphyrinogen III

3-[7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid

CAS: 1976-85-8

Molecular Formula	`C40H44N4O16`
Molecular Weight	836.8 g/mol
Topological Polar Surface Area	362.0 A2
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	16
Rotatable Bonds	20
Exact Mass	836.2752
Heavy Atoms	60
Complexity	1630.0

Chemical Identifiers

CAS Number	1976-85-8
SMILES	`C1C2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O`
InChIKey	`HUHWZXWWOFSFKF-UHFFFAOYSA-N`

📖 Product Overview

Uroporphyrinogen III (CAS: 1976-85-8) is a chemical compound with molecular formula C40H44N4O16 and molecular weight 836.8 g/mol. Its IUPAC systematic name is 3-[7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid. Topological Polar Surface Area 362.0 A2 Hydrogen Bond Donors 12 Hydrogen Bond Acceptors 16 Rotatable Bonds 20 Exact Mass 836.2752 Heavy Atoms 60 Complexity 1630.0 InChI Key: HUHWZXWWOFSFKF-UHFFFAOYSA-N. SMILES: C1C2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O.

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