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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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A770686-5g
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5g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$58.90
|
|
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A770686-25g
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25g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$216.90
|
|
|
A770686-100g
|
100g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$650.90
|
|
| Specifications & Purity | ≥95% |
|---|---|
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Pentacarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pentacarboxylic acids and derivatives |
| Alternative Parents | Fatty acid esters Butenolides Enol esters Enoate esters Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pentacarboxylic acid or derivatives - Fatty acid ester - 2-furanone - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enol ester - Dihydrofuran - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. |
| External Descriptors | Not available |
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| IUPAC Name | [(2S)-2-[(2R)-3,4-bis(2-hexyldecanoyloxy)-5-oxo-2H-furan-2-yl]-2-(2-hexyldecanoyloxy)ethyl] 2-hexyldecanoate |
|---|---|
| INCHI | InChI=1S/C70H128O10/c1-9-17-25-33-37-45-50-58(49-41-29-21-13-5)66(71)76-57-62(77-67(72)59(51-42-30-22-14-6)54-46-38-34-26-18-10-2)63-64(79-68(73)60(52-43-31-23-15-7)55-47-39-35-27-19-11-3)65(70(75)78-63)80-69(74)61(53-44-32-24-16-8)56-48-40-36-28-20-12-4/h58-63H,9-57H2,1-8H3/t58?,59?,60?,61?,62-,63+/m0/s1 |
| InChIKey | OEWBEINAQKIQLZ-CMRBMDBWSA-N |
| Smiles | CCCCCCCCC(CCCCCC)C(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)OC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC |
| Isomeric SMILES | CCCCCCCCC(CCCCCC)C(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)OC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC |
| PubChem CID | 10260680 |
| Molecular Weight | 1129.76 |
| Molecular Weight | 1129.800 g/mol |
|---|---|
| XLogP3 | 28.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 62 |
| Exact Mass | 1128.95 Da |
| Monoisotopic Mass | 1128.95 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 80 |
| Formal Charge | 0 |
| Complexity | 1560.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |