Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1)
Basic information
- CAS
19014-74-5- Standard SMILES
CC(=O)Nc1c(I)cc(I)c(CN(CC(=O)O)CC(=O)O)c1I.CC(=O)Nc1c(I)cc(I)c(CN(CC(=O)O)CC(=O)O)c1I.O- InChIKey
MYRWOTBIRNHYKK-UHFFFAOYSA-N- Molecular formula
- C26H28I6N4O11
- Average molar mass
- 1,333.9 g/mol
- Monoisotopic mass
- 1,333.6023
Names & identifiers
- Preferred name
- Acetic acid, ((3-acetamido-2,4,6-triiodobenzyl)imino)di-, hydrate (2:1)
- IUPAC
- bis(2-[(3-acetamido-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid);hydrate
Names & synonyms
19014-74-5ACETIC ACID, ((3-ACETAMIDO-2,4,6-TRIIODOBENZYL)IMINO)DI-, HYDRATE (2:1)((3-Acetamido-2,4,6-triiodobenzyl)imino)diacetic acid hydrate (2:1)DTXSID20172490N-(2,4,6-Triiodo-3-acetamidobenzyl)iminodiacetic acid hemihydrateRefChem:315931DTXCID10949812,2'-{[(3-Acetamido-2,4,6-triiodophenyl)methyl]azanediyl}diacetic acid--water (2/1)
Database identifiers
- CAS
19014-74-5- PubChem CID
- 29386
- DTXSID
DTXSID20172490
Properties
Computed structural properties
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 14
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 449
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Related reactions
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Compound notes
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