Basic information
- CAS
29779-61-1- Standard SMILES
CN(CC(=O)O)C(=O)c1c(I)c(I)c(C(=O)NCC(=O)O)c(I)c1I- InChIKey
XSDOVFIAAPWZHU-UHFFFAOYSA-N- Molecular formula
- C13H10I4N2O6
- Average molar mass
- 797.85 g/mol
- Monoisotopic mass
- 797.6718
Names & identifiers
- Preferred name
- Glycine, N-(4-(((carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-methyl-
- IUPAC
- 2-[[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]amino]acetic acid
Names & synonyms
BRN 2228801Glycine, N-(4-(((carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-methyl-29779-61-1DTXSID70183930N-(4-(((Carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-methylglycineN-(4-(Carboxymethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-N-methyl-aminoessigsaure [German]N-(4-(Carboxymethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-N-methyl-aminoessigsaureRefChem:346492DTXCID10106421{4-[(Carboxymethyl)carbamoyl]-2,3,5,6-tetraiodo-N-methylbenzamido}acetic acid
Database identifiers
- CAS
29779-61-1- PubChem CID
- 207372
- DTXSID
DTXSID70183930
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…