Magnesium D-gluconate hydrate - PharmPure™, USP , CAS No.3632-91-5

CAS: 3632-91-5 Cat. No.: M112987 Molecular Weight: 414.60 (anhydrous basis) Beilstein Registry Number: 3(2)350 EC Number: 222-848-2

GRADE & PURITY PharmPure™, USP

Synonyms

Q6731392 | CTUVIUYTHWPELF-IYEMJOQQSA-L | Almora | G0276 | GLUCONIC ACID MAGNESIUM SALT | GLUCONIC ACID MAGNESIUM SALT [MI] | INS-580(MAGNESIUM GLUCONATE ANHYDROUS) | magnesium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate | Magnesium D-gluconate (1:2) | S

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

Q6731392 | CTUVIUYTHWPELF-IYEMJOQQSA-L | Almora | G0276 | GLUCONIC ACID MAGNESIUM SALT | GLUCONIC ACID MAGNESIUM SALT [MI] | INS-580(MAGNESIUM GLUCONATE ANHYDROUS) | magnesium (2R, 3S, 4R, 5R)-2, 3, 4, 5, 6-pentahydroxyhexanoate | Magnesium D-gluconate (1:2) | S

Specifications & Purity

PharmPure™, USP

Biochemical and Physiological Mechanisms

Gluconic acid occurs from the oxidation of glucose and is naturally in fruit, honey and wine. When used as a food additive it helps regulate acidity. It is a strong chelating agent, chelating the anions of calcium, iron, aluminum, copper, and other heavy

Storage

Desiccated, Room temperature

Shipped In

Normal

Grade

PharmPure™, USP

Names and Identifiers

• Pubchem Sid: 488197482
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197482
• Canonical Smiles: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Mg+2]
• IUPAC Name: magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
• InChIKey: CTUVIUYTHWPELF-IYEMJOQQSA-L
• INCHI: 1S/2C6H12O7.Mg/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Mg+2]
• WGK Germany: 3
• RTECS: OM3480000
• Molecular Weight: 414.60 (anhydrous basis)
• Beilstein: 3(2)350
• Reaxy-Rn: 15496422
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15496422&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• 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: Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Monosaccharides Secondary alcohols Polyols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Hydroxy acid - Fatty acyl - Fatty acid - Monosaccharide - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Organic salt - Hydrocarbon derivative - Alcohol - Organic zwitterion - Organic oxide - Primary alcohol - Carbonyl group - Aliphatic acyclic 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

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

Chemical and Physical Properties

• Specific Rotation[α]: 12 ° (C=1, H2O)
• Flash Point(°F): 100 °C
• Flash Point(°C): 100°C
• Molecular Weight: 414.600 g/mol
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 414.086 Da
• Monoisotopic Mass: 414.086 Da
• Topological Polar Surface Area: 283.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 165.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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

XLogP3

References

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2. Yafei Guo, Chang Tan, Jian Sun, Weiling Li, Chuanwen Zhao, Jubing Zhang, Ping Lu.  (2018)  Nanostructured MgO Sorbents Derived from Organometallic Magnesium Precursors for Post-combustion CO2 Capture.  ENERGY & FUELS,      [PMID:] [10.1021/acs.energyfuels.8b00866]

3. Houting Kang, Hong Yan, Ruijie Guo, Junying Wu, Yanming Wang, Jingyuan Tian, Cheng Zhang.  (2024)  Caramelization-inspired bio-based waterborne fire-resistant coating for various substrates.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.158016]

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6. Jinsong Shi, Jianguo Xu, Hongmin Cui, Nanfu Yan, Runhan Yan, Yaqing Weng.  (2024)  NaCl template synthesis of N-doped porous carbon from magnesium gluconate for efficient CO2 adsorption.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.129756]

7. Hainan Pei, Ru Wang, Ying Li, Yunfei Xue, Yaxin Chen, Jiangmin Jiang, Xiangkai Kong, Quanchao Zhuang, Zhicheng Ju.  (2025)  Pore modulation in coal-based hard carbon for sodium-ion batteries.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40127575] [10.1016/j.jcis.2025.137359]

8. Yan Ji, Zhiqing Ge, Huali Zhu, Junfei Duan, Yanxia Wang, Yanling Gu, Zhaoyong Chen.  (2025)  Constructing a high ion conductivity artificial SEI on biomass derived hard carbon for sodium ion battery.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2025.117167]

9. Sha Li, Keting Li, Chao Yang, Lansha Song, Lian Shuai, Xingyi Chen, Lei Wang.  (2025)  Ionically crosslinked pectin films incorporated with Rosa roxburghii Tratt polyphenol: influence of gluconate and chloride ions.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2025.112369]