N,N'-Bis(2,3-dihydroxypropionyl)-N-(2-hydroxyethyl)-3,5-diamino-2,4,6-triiodobenzylalcohol
Basic information
- Standard SMILES
O=C(Nc1c(I)c(CO)c(I)c(N(CCO)C(=O)C(O)CO)c1I)C(O)CO- InChIKey
KBWFOYPAXBKLML-UHFFFAOYSA-N- Molecular formula
- C15H19I3N2O8
- Average molar mass
- 736.03 g/mol
Names & identifiers
- Preferred name
- N,N'-Bis(2,3-dihydroxypropionyl)-N-(2-hydroxyethyl)-3,5-diamino-2,4,6-triiodobenzylalcohol
- IUPAC
- N-[3-[2,3-dihydroxypropanoyl(2-hydroxyethyl)amino]-5-(hydroxymethyl)-2,4,6-triiodophenyl]-2,3-dihydroxypropanamide
Names & synonyms
SCHEMBL7591094KBWFOYPAXBKLML-UHFFFAOYSA-NN,N'-Bis(2,3-dihydroxypropionyl)-N-(2-hydroxyethyl)-3,5-diamino-2,4,6-triiodobenzylalcohol
Database identifiers
- PubChem CID
- 18429366
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 532
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Related reactions
4 records
Compound notes
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