Basic information
- Standard SMILES
O=C(NCCO)c1c(I)c(NC(=O)N(CC(O)CO)c2c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c2I)c(I)c(C(=O)NCC(O)CO)c1I- InChIKey
YHYLEUNRERGEHN-UHFFFAOYSA-N- Molecular formula
- C30H36I6N6O13
- Average molar mass
- 1,450.1 g/mol
Names & identifiers
- Preferred name
- N,N'-bis[2,4,6-triiodo-3-(2-hydroxyethylaminocarbonyl)-5-(2,3-dihydroxypropylaminocarbonyl)phenyl]-N-(2,3-dihydroxypropyl)urea
- IUPAC
- 3-N-(2,3-dihydroxypropyl)-5-[[2,3-dihydroxypropyl-[3-(2,3-dihydroxypropylcarbamoyl)-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodophenyl]carbamoyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Names & synonyms
SCHEMBL8544442YHYLEUNRERGEHN-UHFFFAOYSA-NN,N'-bis[2,4,6-triiodo-3-(2-hydroxyethylaminocarbonyl)-5-(2,3-dihydroxypropylaminocarbonyl)phenyl]-N-(2,3-dihydroxypropyl)urea
Database identifiers
- PubChem CID
- 21844902
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 311 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 19
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
3 records
Compound notes
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