Mucic acid - ≥98% , CAS No.526-99-8

CAS: 526-99-8 Cat. No.: M107193 Molecular Weight: 210.14 Beilstein Registry Number: 1728117 EC Number: 208-404-0

GRADE & PURITY ≥98%

Synonyms

Schleimsaeure | A870928 | Galactarsaeure | Galactosaccharic acid | SCHEMBL5901 | GALACTARIC ACID [HSDB] | Schleimsaure [German] | AI3-06294 | NSC-8127 | Tox21_113190 | EINECS 208-404-0 | MUCILIANCE | 4-03-00-01292 (Beilstein Handbook Reference) | EN300-12

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Schleimsaeure | A870928 | Galactarsaeure | Galactosaccharic acid | SCHEMBL5901 | GALACTARIC ACID [HSDB] | Schleimsaure [German] | AI3-06294 | NSC-8127 | Tox21_113190 | EINECS 208-404-0 | MUCILIANCE | 4-03-00-01292 (Beilstein Handbook Reference) | EN300-12

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Dicarboxylic acid tetrol compound formed from the oxidation of galactose.

Storage

Room temperature

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488194226
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194226
• Canonical Smiles: C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O
• IUPAC Name: (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
• InChIKey: DSLZVSRJTYRBFB-DUHBMQHGSA-N
• 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-
• Isomeric SMILES: [C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O
• WGK Germany: 2
• RTECS: LW5180000
• Molecular Weight: 210.14
• Beilstein: 1728117
• Reaxy-Rn: 1913240
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1913240&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Glucuronic acid derivatives

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Gusb Beta-glucuronidase (17 Activities)

Discover Target: Gusb

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Melt Point(°C): 220-225°C
• 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

References

1. Jie Yang, Chaojun Ren, Min Liu, Wenwei Li, Daojiang Gao, Hongda Li, Zhanglei Ning.  (2023)  A Novel Dye-Modified Metal–Organic Framework as a Bifunctional Fluorescent Probe for Visual Sensing for Styrene and Temperature.  MOLECULES,  28  (13): (4919).  [PMID:37446579] [10.3390/molecules28134919]