Basic information
- Standard SMILES
C[C@H](Oc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I)C(N)=O- InChIKey
UGDYQGZCHIPZQV-LURJTMIESA-N- Molecular formula
- C17H22I3N3O8
- Average molar mass
- 777.1 g/mol
Names & identifiers
- Preferred name
- (S)-5-(2-amino-1-methyl-2-oxoethoxy)-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-1,3-benzenedicarboxamide
- IUPAC
- 5-[(2S)-1-amino-1-oxopropan-2-yl]oxy-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Names & synonyms
SCHEMBL8421967UGDYQGZCHIPZQV-LURJTMIESA-N(S)-5-(2-amino-1-methyl-2-oxoethoxy)-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-1,3-benzenedicarboxamide
Database identifiers
- PubChem CID
- 11029100
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 583
Related reactions
2 records
Compound notes
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