BRN 2188980
2,3-dihydroxypropyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate
| Molecular Formula | C15H17I3N2O6 |
|---|---|
| Molecular Weight | 702.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 125.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 701.8221 |
| Heavy Atoms | 26 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 67093-13-4 |
|---|---|
| SMILES | CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OCC(CO)O)I |
| InChIKey | NJAUFVDIJIFKIM-UHFFFAOYSA-N |
📖 Product Overview
BRN 2188980 (CAS: 67093-13-4) is a chemical compound with molecular formula C15H17I3N2O6 and molecular weight 702.02 g/mol. Its IUPAC systematic name is 2,3-dihydroxypropyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate.
NJAUFVDIJIFKIM-UHFFFAOYSA-N.
SMILES: CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OCC(CO)O)I.
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