5-(Acetyl(2,3-dihydroxypropyl)amino)-N1-(2,3-dihydroxypropyl)-N1-(2-hydroxyethyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
Basic information
- CAS
159126-33-7- Standard SMILES
CC(=O)N(CC(O)CO)c1c(I)c(C(N)=O)c(I)c(C(=O)N(CCO)CC(O)CO)c1I- InChIKey
ZZLFKLSBHDFNDU-UHFFFAOYSA-N- Molecular formula
- C18H24I3N3O8
- Average molar mass
- 791.1 g/mol
- Monoisotopic mass
- 790.8698
Names & identifiers
- Preferred name
- 5-(Acetyl(2,3-dihydroxypropyl)amino)-N1-(2,3-dihydroxypropyl)-N1-(2-hydroxyethyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
- IUPAC
- 5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-3-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Names & synonyms
159126-33-7RefChem:10724905-(Acetyl(2,3-dihydroxypropyl)amino)-N1-(2,3-dihydroxypropyl)-N1-(2-hydroxyethyl)-2,4,6-triiodo-1,3-benzenedicarboxamide1,3-Benzenedicarboxamide, 5-(acetyl(2,3-dihydroxypropyl)amino)-N-(2,3-dihydroxypropyl)-N-(2-hydroxyethyl)-2,4,6-triiodo-SCHEMBL9194250DTXSID209360593-[Acetyl(2,3-dihydroxypropyl)amino]-5-[(2,3-dihydroxypropyl)(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzene-1-carboximidic acid3-[N-(2,3-Dihydroxypropyl)acetamido]-5-[(2,3-dihydroxypropyl)(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzene-1-carboximidic acid
Database identifiers
- CAS
159126-33-7- PubChem CID
- 3074532
- DTXSID
DTXSID20936059
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 661
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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