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Allo-2-hydroxycitric acid , CAS No.27750-11-4
AVAILABLE TO ORDER
Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Names and Identifiers
| Canonical Smiles | C(C(=O)O)C(C(C(=O)O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | (1S,2R)-1,2-dihydroxypropane-1,2,3-tricarboxylic acid |
| InChIKey | ZMJBYMUCKBYSCP-AWFVSMACSA-N |
| INCHI | 1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)/t3-,6-/m1/s1 |
| Isomeric SMILES | C(C(=O)O)[C@@]([C@@H](C(=O)O)O)(C(=O)O)O |
| PubChem CID | 9856782 |
| Molecular Weight | 208.12 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Tricarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tricarboxylic acids and derivatives |
| Alternative Parents | Beta hydroxy acids and derivatives Monosaccharides Alpha hydroxy acids and derivatives Tertiary alcohols Secondary alcohols 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Tricarboxylic acid or derivatives - Beta-hydroxy acid - Monosaccharide - Hydroxy acid - Alpha-hydroxy acid - Tertiary alcohol - Secondary alcohol - 1,2-diol - Carboxylic acid - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Alcohol - Organic oxide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 208.120 g/mol |
|---|---|
| XLogP3 | -2.600 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 208.022 Da |
| Monoisotopic Mass | 208.022 Da |
| Topological Polar Surface Area | 152.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 271.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
Solution Calculators
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