Basic information
- Standard SMILES
CC(=O)OCc1c(I)c(N)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I- InChIKey
HHBDBWVJJQNMAE-UHFFFAOYSA-N- Molecular formula
- C17H19I3N2O7
- Average molar mass
- 744.1 g/mol
Names & identifiers
- Preferred name
- 3-Acetoxymethyl-5-(2,3-diacetoxypropylaminocarbonyl)-2,4,6-triiodoaniline
- IUPAC
- [3-amino-5-(2,3-diacetyloxypropylcarbamoyl)-2,4,6-triiodophenyl]methyl acetate
Names & synonyms
SCHEMBL7587993HHBDBWVJJQNMAE-UHFFFAOYSA-N3-Acetoxymethyl-5-(2,3-diacetoxypropylaminocarbonyl)-2,4,6-triiodoaniline5-Amino-3-acetoxymethyl-N-(2,3-diacetoxypropyl)-2,4,6-triiodobenzamide
Database identifiers
- PubChem CID
- 18429130
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 622
Related reactions
16 records
Compound notes
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