Ioseric acid

3-[[3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid

CAS: 51876-99-4

Molecular Formula	`C15H16I3N3O7`
Molecular Weight	731.02 g/mol
LogP	0.4
Topological Polar Surface Area	154.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	730.8122
Heavy Atoms	28
Complexity	609.0

Chemical Identifiers

CAS Number	51876-99-4
SMILES	`CNC(=O)C(CO)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)O)I`
InChIKey	`NPCYYZYVQAQDBM-UHFFFAOYSA-N`

📖 Product Overview

Ioseric acid (CAS: 51876-99-4) is a chemical compound with molecular formula C15H16I3N3O7 and molecular weight 731.02 g/mol. Its IUPAC systematic name is 3-[[3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid. LogP 0.4 Topological Polar Surface Area 154.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 7 Rotatable Bonds 8 Exact Mass 730.8122 Heavy Atoms 28 Complexity 609.0 InChI Key: NPCYYZYVQAQDBM-UHFFFAOYSA-N. SMILES: CNC(=O)C(CO)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)O)I.

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