Calcium D-gluconate monohydrate - 2mM in Water , CAS No.66905-23-5

CAS: 66905-23-5 Cat. No.: C580335 Formula: C₁₂H₂₂CaO₁₄·H₂O Molecular Weight: 448.39

GRADE & PURITY 2mM in Water

Synonyms

CALCIUM D-GLUCONATE (1:2) MONOHYDRATE [WHO-IP]|CALCIUM GLUCONATE (EP MONOGRAPH)|Calcium D-gluconate monohydrate|D-Gluconic acid, calcium salt (2:1)monohydrate|CALCIUM GLUCONATE MONOHYDRATE (USP-RS)|Calcium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate hydrate|Calcium D-gluconate hydrate|2-Oxo-3-methyl-butyrate|Calcium gluconate hydrate (JP17)|CALCIUM GLUCONATE MONOHYDRATE [USP MONOGRAPH]|D-Gluconic acid calcium salt monohydrate|D-Gluconic acid, calcium salt, hydrate (2:1:1)|D-Gluconic acid calcium salt|Calcium gluconate hydrate [JAN]|Calcium gluconate monohydrate [WHO-DD]|CALCIUM D-GLUCONATE (1:2) MONOHYDRATE|4-methyl-2-oxopentanoicacid|CALCIUM DI-D-GLUCONATE MONOHYDRATE|CALCIUM GLUCONATE [EP MONOGRAPH]|Calcium gluconate monohydrate|CALCIUM GLUCONATE MONOHYDRATE [USP-RS]|D-Gluconic acid, calcium salt (2:1) monohydrate|Calcicol (TN)|CALCIUM GLUCONATE MONOHYDRATE (USP MONOGRAPH)|calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;hydrate

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

Synonyms

CALCIUM D-GLUCONATE (1:2) MONOHYDRATE [WHO-IP] | CALCIUM GLUCONATE (EP MONOGRAPH) | Calcium D-gluconate monohydrate | D-Gluconic acid, calcium salt (2:1)monohydrate | CALCIUM GLUCONATE MONOHYDRATE (USP-RS) | Calcium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate hydrate | Calcium D-gluconate hydrate | 2-Oxo-3-methyl-butyrate | Calcium gluc Show more

Specifications & Purity

2mM in Water

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

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.O.[Ca+2]

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

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.O.[Ca+2]

Alternate CAS

18016-24-5

Molecular Weight

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
    • 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 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
• 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

• Solubility: Soluble in water(30g/L).
• Melt Point(°C): ca 195° dec.
• Molecular Weight: 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