≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CNCC(C1=CC=C(C=C1)O)O.CNCC(C1=CC=C(C=C1)O)O.C(C(C(=O)O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | (2R,3R)-2,3-dihydroxybutanedioic acid;4-[1-hydroxy-2-(methylamino)ethyl]phenol |
| InChIKey | KZZBAIXGUQOHKI-CEAXSRTFSA-N |
| INCHI | 1S/2C9H13NO2.C4H6O6/c2*1-10-6-9(12)7-2-4-8(11)5-3-7;5-1(3(7)8)2(6)4(9)10/h2*2-5,9-12H,6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1 |
| Isomeric SMILES | CNCC(C1=CC=C(C=C1)O)O.CNCC(C1=CC=C(C=C1)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| PubChem CID | 101532 |
| Molecular Weight | 484.5 |
| Reaxy-Rn | 5693346 |
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 | Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Benzene and substituted derivatives Alpha hydroxy acids and derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols |
| Molecular Framework | Not available |
| Substituents | 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Sugar acid - Short-chain hydroxy acid - Phenol - Beta-hydroxy acid - Fatty acid - Benzenoid - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Alpha-hydroxy acid - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic homomonocyclic 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 |
| Solubility | Soluble in water |
|---|---|
| Specific Rotation[α] | 13° (C=5,H2O) |
| Melt Point(°C) | 184 °C |
| Molecular Weight | 484.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 9 |
| Exact Mass | 484.206 Da |
| Monoisotopic Mass | 484.206 Da |
| Topological Polar Surface Area | 220.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 256.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
F1708051