≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 18 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488195659 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195659 |
| Sourires canoniques | O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Ca]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |
| IUPAC Name | calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;hydrate |
| InChIKey | XLNFVCRGJZBQGX-XRDLMGPZSA-L |
| INCHI | 1S/2C6H12O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+,5-;;/m11../s1 |
| Isomères SMILES | C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.[Ca+2] |
| CAS alternatif | 18016-24-5 |
| Poids moléculaire | 448.39 |
| Reaxy-Rn | 14447306 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14447306&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Classe | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sugar acids and derivatives |
| Alternative Parents | Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Monosaccharides Secondary alcohols 1,2-diols Carboxylic acid salts Carboxylic acids Organic calcium salts Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Organic zwitterions Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Hydroxy acid - Fatty acyl - Fatty acid - Monosaccharide - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic calcium salt - Polyol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Primary alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Article |
|---|---|---|---|
 G2616446 | Certificate of Analysis | May 18, 2026 | C110858 |
| G2616445 | Certificate of Analysis | May 18, 2026 | C110858 |
| G2616444 | Certificate of Analysis | May 18, 2026 | C110858 |
| K2504801 | Certificate of Analysis | Sep 29, 2025 | C110858 |
| J2530263 | Certificate of Analysis | Sep 29, 2025 | C110858 |
| J2530261 | Certificate of Analysis | Sep 29, 2025 | C110858 |
| D2620103 | Certificate of Analysis | Sep 29, 2025 | C110858 |
| B2512241 | Certificate of Analysis | Jan 10, 2025 | C110858 |
| B2512242 | Certificate of Analysis | Jan 10, 2025 | C110858 |
| B2512243 | Certificate of Analysis | Jan 10, 2025 | C110858 |
| I2525024 | Certificate of Analysis | Jan 10, 2025 | C110858 |
| C2617057 | Certificate of Analysis | Jan 10, 2025 | C110858 |
| G2010029 | Certificate of Analysis | Apr 07, 2024 | C110858 |
| A2329615 | Certificate of Analysis | Oct 26, 2022 | C110858 |
| A2329645 | Certificate of Analysis | Oct 26, 2022 | C110858 |
| A2329644 | Certificate of Analysis | Oct 26, 2022 | C110858 |
| A2329612 | Certificate of Analysis | Oct 26, 2022 | C110858 |
| C2201503 | Certificate of Analysis | Dec 16, 2021 | C110858 |
| C2201462 | Certificate of Analysis | Dec 16, 2021 | C110858 |
| C2201461 | Certificate of Analysis | Dec 16, 2021 | C110858 |
| C2201457 | Certificate of Analysis | Dec 16, 2021 | C110858 |
| Point de fusion (°C) | ca 195° dec. |
|---|---|
| Poids moléculaire | 430.370 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 8 |
| Exact Mass | 430.064 Da |
| Monoisotopic Mass | 430.064 Da |
| Topological Polar Surface Area | 283.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 165.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
