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

CAS: 3632-91-5 Cat. No.: M112987 Formula: C₁₂H₂₂MgO₁₄ · xH₂O Peso molecolare: 414.60 (anhydrous basis) Beilstein Registry Number: 3(2)350 Numero EC: 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

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

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

Specifiche e purezza

PharmPure™, USP

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Grado

PharmPure™, USP

Nomi e identificatori

Pubchem Sid

488197482

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197482

Sorrisi canonici

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

Isomeri 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 Germania

3

RTECS

OM3480000

Peso molecolare

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
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Rotazione specifica [α]: 12 ° (C=1, H2O)
• Punto di infiammabilità (°F): 100 °C
• Punto di infiammabilità (°C): 100°C
• Peso molecolare: 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