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D-Glucaric acid - 98%, high purity , CAS No.87-73-0
Basic Description
Synonyms
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid | D-glucarate | SCHEMBL5496 | DB03603 | D-saccharic acid | (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate | D-tetrahydroxyadipate | L-gularate | C00818 | Q424636 | QLZ991V4A2 | D-(+)-saccharate | D-(+)-sa
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives
Direct Parent
Glucuronic acid derivatives
Alternative Parents
Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Monosaccharides Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Secondary alcohols Polyols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Glucuronic acid or derivatives - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Alpha-hydroxy acid - Fatty acyl - Fatty acid - Secondary alcohol - Polyol - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
External Descriptors
Dicarboxylic acids
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504753497
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504753497
IUPAC Name
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
INCHI
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
InChIKey
DSLZVSRJTYRBFB-LLEIAEIESA-N
Smiles
C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O
Isomeric SMILES
[C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O
UN Number
3261
Packing Group
III
Molecular Weight
210.139
Reaxy-Rn
1913240
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1913240&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
269.65℃
Melt Point(°C)
125-126℃
Molecular Weight
210.140 g/mol
XLogP3
-2.500
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
5
Exact Mass
210.038 Da
Monoisotopic Mass
210.038 Da
Topological Polar Surface Area
156.000 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
202.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
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
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