Compound C22H16I6N4O8

3-carbamoyl-5-[[6-(3-carbamoyl-5-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid

CAS: 13724-24-8

Molecular Formula	`C22H16I6N4O8`
Molecular Weight	1225.8 g/mol
LogP	3.3
Topological Polar Surface Area	219.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	1225.5236
Heavy Atoms	40
Complexity	946.0

Chemical Identifiers

CAS Number	13724-24-8
SMILES	`C(CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N)I)CC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)N)I`
InChIKey	`ZHDAENNVPWGPNT-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H16I6N4O8 (CAS: 13724-24-8) is a chemical compound with molecular formula C22H16I6N4O8 and molecular weight 1225.8 g/mol. Its IUPAC systematic name is 3-carbamoyl-5-[[6-(3-carbamoyl-5-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid. LogP 3.3 Topological Polar Surface Area 219.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 11 Exact Mass 1225.5236 Heavy Atoms 40 Complexity 946.0 InChI Key: ZHDAENNVPWGPNT-UHFFFAOYSA-N. SMILES: C(CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N)I)CC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)N)I.

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