Calcium D-gluconate monohydrate - ≥98% , CAS No.66905-23-5

CAS: 66905-23-5 Cat. No.: C171268 Summenformel: C₁₂H₂₂CaO₁₄·H₂O Molekulargewicht: 448.39

GRADE & PURITY ≥98%

Synonyms

CALCIUM D-GLUCONATE (1:2) MONOHYDRATE [WHO-IP] | CALCIUM GLUCONATE (EP MONOGRAPH) | UNII-CZN0MI5R31 | Calcium D-gluconate monohydrate | MFCD00150787 | D-Gluconic acid, calcium salt (2:1)monohydrate | CALCIUM GLUCONATE MONOHYDRATE (USP-RS) | Q27275914 | Ca

Storage

Room temperature

Shipped In

Normal

Übersicht

Application

Calcium D-gluconate monohydrate is used as a soluble for developing the highly effective, durable, and cheap CaO-based sorbents suitable for CO2 capture, precursor for CaO-based sorbents, in medicine, treatment of hypocalcemia, as an antidote.

Specifications

Synonyme

CALCIUM D-GLUCONATE (1:2) MONOHYDRATE [WHO-IP] | CALCIUM GLUCONATE (EP MONOGRAPH) | UNII-CZN0MI5R31 | Calcium D-gluconate monohydrate | MFCD00150787 | D-Gluconic acid, calcium salt (2:1)monohydrate | CALCIUM GLUCONATE MONOHYDRATE (USP-RS) | Q27275914 | Ca

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488200602

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200602

Kanonisches Lächeln

O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Ca]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

IUPAC Name

calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;hydrate

InChIKey

XLNFVCRGJZBQGX-XRDLMGPZSA-L

INCHI

1S/2C6H12O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+,5-;;/m11../s1

Isomere 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.O.[Ca+2]

Alternative CAS-Nummer

18016-24-5

Molekulargewicht

448.39

Reaxy-Rn

14447306

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14447306&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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 Beta hydroxy acids and derivatives Hydroxy fatty acids Monosaccharides Secondary alcohols 1,2-diols Carboxylic acid salts Carboxylic acids Organic calcium salts Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Organic zwitterions 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 - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic calcium salt - Polyol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Primary alcohol - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water(30g/L).
• Schmelzpunkt (°C): ca 195° dec.
• Molekulargewicht: 448.390 g/mol
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 448.074 Da
• Monoisotopic Mass: 448.074 Da
• Topological Polar Surface Area: 284.000 Ų
• Heavy Atom Count: 28
• 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: 4

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 66905-23-5, the molecular formula is C12H22CaO14·H2O, and the molecular weight is 448.39 g/mol. InChIKey XLNFVCRGJZBQGX-XRDLMGPZSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.