Basic information
- Standard SMILES
CC(=O)OCc1c(I)c(N)c(I)c(C(=O)N(CC(O)CO)CC(O)CO)c1I- InChIKey
SKYZSVOWCVWVOO-UHFFFAOYSA-N- Molecular formula
- C16H21I3N2O7
- Average molar mass
- 734.06 g/mol
- Monoisotopic mass
- 733.8483
Names & identifiers
- Preferred name
- 5-Amino-3-acetoxymethyl-N,N-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-benzamide
- IUPAC
- [3-amino-5-[bis(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl]methyl acetate
Names & synonyms
SCHEMBL7595493SKYZSVOWCVWVOO-UHFFFAOYSA-N5-Amino -3-acetoxymethyl-N,N-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-benzamide
Database identifiers
- PubChem CID
- 18429331
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 518
Related reactions
1 records
Linked notes
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