| Sonrisas canónicas | C(C(C(C(C(=O)[O-])O)O)O)O.C(C(C(C(C(=O)[O-])O)O)O)O.[Ca+2] |
|---|---|
| IUPAC Name | calcium;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanoate |
| InChIKey | XAHGBSMZOUCKFJ-JQTJLMCZSA-L |
| INCHI | 1S/2C5H10O6.Ca/c2*6-1-2(7)3(8)4(9)5(10)11;/h2*2-4,6-9H,1H2,(H,10,11);/q;;+2/p-2/t2*2-,3-,4+;/m11./s1 |
| Isómeros SMILES | C([C@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O.C([C@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O.[Ca+2] |
| PubChem CID | 89679 |
| Peso molecular | 370.32 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sugar acids and derivatives |
| Alternative Parents | Pentoses Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty acids and conjugates Secondary alcohols Carboxylic acid salts Polyols Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Pentose monosaccharide - Beta-hydroxy acid - Sugar acid - Short-chain hydroxy acid - Hydroxy acid - Fatty 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 - Carbonyl group - Organic salt - Organic zwitterion - Primary alcohol - Aliphatic acyclic compound |
| Descripción | 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 |
| Peso molecular | 370.320 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 370.042 Da |
| Monoisotopic Mass | 370.042 Da |
| Topological Polar Surface Area | 242.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 129.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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 |
