Basic information
- CAS
23279-55-2- Standard SMILES
CCCC(C(=O)O)c1c(I)cc(I)c(N(C)C(C)=O)c1I- InChIKey
AMIVWKJDCSIIIA-UHFFFAOYSA-N- Molecular formula
- C14H16I3NO3
- Average molar mass
- 626.99 g/mol
- Monoisotopic mass
- 626.8264
Names & identifiers
- Preferred name
- Valeric acid, 2-(3-(N-methylacetamido)-2,4,6-triiodophenyl)-
- IUPAC
- 2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenyl]pentanoic acid
- English name
- 2-[3-[Methyl(acetyl)amino]-2,4,6-triiodophenyl]valeric acid
- Molecular formula
- C14H16I3NO3
- Molecular weight
- 627
Names & synonyms
23279-55-2BRN 30382182-(3-(N-Methylacetamido)-2,4,6-triiodophenyl)valeric acidPentanoic acid, 2-(3-(N-methylacetamido)-2,4,6-triiodophenyl)-Valeric acid, 2-(3-(N-methylacetamido)-2,4,6-triiodophenyl)-RefChem:3882672-{3-[acetyl(methyl)amino]-2,4,6-triiodophenyl}pentanoic acidDTXSID609459682-[2,4,6-triiodo-3-(N-methylacetamido)phenyl]pentanoic acid2-[3-[Methyl(acetyl)amino]-2,4,6-triiodophenyl]valeric acid2-[3-(N-Methylacetylamino)-2,4,6-triiodophenyl]valeric acidBenzeneacetic acid, 3-(acetylmethylamino)-2,4,6-triiodo-α-propyl-
Database identifiers
- CAS
23279-55-2- PubChem CID
- 211523
- DTXSID
DTXSID60945968- Nikkaji
- J49.627H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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