dieldrin
3-[3,5-diiodo-4-[(3R,4R,5S,6S)-3,4,5-triacetyloxy-5-ethyl-6-methoxycarbonyloxan-2-yl]oxyphenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
Also Known As: dieldrin|Methyl 2,3,4,6-tetra-O-methyl-alpha-D-glucopyranoside|Glucopyranosiduronic acid, 4-(2-carboxy-2-(2,2,2-trifluoroacetamido)ethyl)-2,6-diiodophenyl, 4-ethyl methyl ester, triacetate|3-[3,5-diiodo-4-[(3R,4R,5S,6S)-3,4,5-triacetyloxy-5-ethyl-6-methoxycarbonyloxan-2-yl]oxyphenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
| Molecular Formula | C26H28F3I2NO13 |
|---|---|
| Molecular Weight | 872.9602 g/mol |
| LogP | 2.422 |
| Topological Polar Surface Area | 190.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 872.9602 |
| Monoisotopic Mass | 872.9602 |
| Heavy Atoms | 45 |
| Complexity | 1318.4008 |
Chemical Identifiers
| CAS Number | 605-72-1 |
|---|---|
| SMILES | CC[C@@]1([C@@H]([C@H](C(O[C@@H]1C(=O)OC)OC2=C(C=C(C=C2I)CC(C(=O)O)NC(=O)C(F)(F)F)I)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
dieldrin (CAS 605-72-1), with molecular formula C26H28F3I2NO13 and molecular weight 872.9602 g/mol. IUPAC: 3-[3,5-diiodo-4-[(3R,4R,5S,6S)-3,4,5-triacetyloxy-5-ethyl-6-methoxycarbonyloxan-2-yl]oxyphenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid.
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