bis(2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid)hydrate

bis(2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid);hydrate

CAS: 19014-74-5

Molecular Formula	`C26H28I6N4O11`
Molecular Weight	1333.9 g/mol
Topological Polar Surface Area	215.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	13
Rotatable Bonds	14
Exact Mass	1333.6023
Heavy Atoms	47
Complexity	449.0

Chemical Identifiers

CAS Number	19014-74-5
SMILES	`CC(=O)NC1=C(C=C(C(=C1I)CN(CC(=O)O)CC(=O)O)I)I.CC(=O)NC1=C(C=C(C(=C1I)CN(CC(=O)O)CC(=O)O)I)I.O`
InChIKey	`MYRWOTBIRNHYKK-UHFFFAOYSA-N`

📖 Product Overview

bis(2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid)hydrate (CAS: 19014-74-5) is a chemical compound with molecular formula C26H28I6N4O11 and molecular weight 1333.9 g/mol. Its IUPAC systematic name is bis(2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid);hydrate. Topological Polar Surface Area 215.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 13 Rotatable Bonds 14 Exact Mass 1333.6023 Heavy Atoms 47 Complexity 449.0 InChI Key: MYRWOTBIRNHYKK-UHFFFAOYSA-N. SMILES: CC(=O)NC1=C(C=C(C(=C1I)CN(CC(=O)O)CC(=O)O)I)I.CC(=O)NC1=C(C=C(C(=C1I)CN(CC(=O)O)CC(=O)O)I)I.O.

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