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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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D696631-250mg
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250mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$130.90
|
|
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D696631-1g
|
1g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$393.90
|
|
| Specifications & Purity | ≥95% |
|---|
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Furans |
| Subclass | Furoic acid and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Furoic acid esters |
| Alternative Parents | Dicarboxylic acids and derivatives Vinylogous acids Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Furoic acid ester - Dicarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous acid - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid. |
| External Descriptors | Not available |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| IUPAC Name | diethyl 3,4-dihydroxyfuran-2,5-dicarboxylate |
|---|---|
| INCHI | InChI=1S/C10H12O7/c1-3-15-9(13)7-5(11)6(12)8(17-7)10(14)16-4-2/h11-12H,3-4H2,1-2H3 |
| InChIKey | JGCMPUKYPRCPRE-UHFFFAOYSA-N |
| Smiles | CCOC(=O)C1=C(C(=C(O1)C(=O)OCC)O)O |
| Isomeric SMILES | CCOC(=O)C1=C(C(=C(O1)C(=O)OCC)O)O |
| PubChem CID | 234848 |
| Molecular Weight | 244.2 |
| Molecular Weight | 244.200 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 244.058 Da |
| Monoisotopic Mass | 244.058 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 262.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |