AC1L4KHN
(2S,3S,4S,5R,6R)-6-[(1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate), (1R-cis)-|1-O-[3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid|(2S,3S,4S,5R,6R)-6-[(1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|1-O-[(1R,3R)-3-(2,2-Dichloroethen-1-yl)-2,2-dimethylcyclopropane-1-carbonyl]-alpha-D-glucopyranuronic acid
| Molecular Formula | C14H18Cl2O8 |
|---|---|
| Molecular Weight | 384.03787 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.03787 |
| Monoisotopic Mass | 384.03787 |
| Heavy Atoms | 24 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 80446-46-4 |
|---|---|
| SMILES | CC1([C@H]([C@H]1C(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C=C(Cl)Cl)C |
| InChIKey | SCDVRNUOLGVBJK-NIBPJXFHSA-N |
Product Overview
AC1L4KHN (CAS 80446-46-4), with molecular formula C14H18Cl2O8 and molecular weight 384.03787 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
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