≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product description：
NSC 42196 is an endogenous metabolite.
| Canonical Smiles | C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Ca+2] |
|---|---|
| IUPAC Name | calcium;(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate |
| InChIKey | FATUQANACHZLRT-XBQZYUPDSA-L |
| INCHI | 1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6-;/m11./s1 |
| Isomeric SMILES | C([C@H]([C@H]([C@@H]([C@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Ca+2] |
| WGK Germany | 3 |
| RTECS | MA7980000 |
| Molecular Weight | 490.42 (anhydrous basis) |
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 |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sugar acids and derivatives |
| Alternative Parents | Heptoses Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Secondary alcohols Carboxylic acid salts Polyols Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols |
| Molecular Framework | Not available |
| Substituents | Heptose monosaccharide - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Sugar acid - Fatty acyl - Fatty acid - Hydroxy acid - Monosaccharide - Carboxylic acid salt - Secondary alcohol - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Hydrocarbon derivative - Alcohol - Organic oxide - Organic salt - Organic zwitterion - Primary alcohol - Carbonyl group - 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 | Item |
|---|---|---|---|
 H2307680 | Certificate of Analysis | May 20, 2026 | C352040 |
| H2307693 | Certificate of Analysis | May 20, 2026 | C352040 |
| K2512211 | Certificate of Analysis | Nov 01, 2025 | C352040 |
| K2512219 | Certificate of Analysis | Nov 01, 2025 | C352040 |
| Specific Rotation[α] | α20/D +2°±0.2°, c = 5% in water |
|---|---|
| Molecular Weight | 490.420 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 10 |
| Exact Mass | 490.085 Da |
| Monoisotopic Mass | 490.085 Da |
| Topological Polar Surface Area | 323.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 202.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| 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 | 3 |
