Calcium DL-Glycerate Hydrate - ≥98% , CAS No.207300-72-9

CAS: 207300-72-9 Cat. No.: C154023 Molecular Weight: 250.22 (anhydrous basis)

GRADE & PURITY ≥98%

Synonyms

Calcium 2,3-dihydroxypropanoate dihydrate | F70451 | Calcium di-DL-glycerate dihydrate | calcium dl-glycerate dihydrate | L-glyceric acid, calcium salt dihydrate | calcium;2,3-dihydroxypropanoate;dihydrate | dl-glyceric acid hemicalcium hydrate | DTXSID30

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Calcium 2, 3-dihydroxypropanoate dihydrate | F70451 | Calcium di-DL-glycerate dihydrate | calcium dl-glycerate dihydrate | L-glyceric acid, calcium salt dihydrate | calcium;2, 3-dihydroxypropanoate;dihydrate | dl-glyceric acid hemicalcium hydrate | DTXSID30

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(C(C(=O)[O-])O)O.C(C(C(=O)[O-])O)O.[Ca+2]
• IUPAC Name: calcium;2,3-dihydroxypropanoate
• InChIKey: VPWAVWZPVGDNMN-UHFFFAOYSA-L
• INCHI: 1S/2C3H6O4.Ca/c2*4-1-2(5)3(6)7;/h2*2,4-5H,1H2,(H,6,7);/q;;+2/p-2
• Isomeric SMILES: C(C(C(=O)[O-])O)O.C(C(C(=O)[O-])O)O.[Ca+2]
• Alternate CAS: 67525-74-0
• Molecular Weight: 250.22 (anhydrous basis)
• Reaxy-Rn: 3632845
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3632845&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: Beta hydroxy acids and derivatives Monosaccharides Secondary alcohols Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Beta-hydroxy acid - Glyceric_acid - Sugar acid - Hydroxy acid - Monosaccharide - Secondary alcohol - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic calcium salt - Hydrocarbon derivative - Organic oxide - Primary alcohol - Alcohol - Carbonyl group - Organic zwitterion - Organic salt - 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 cold and hot water.
• Sensitivity: Hygroscopic
• Melt Point(°C): 134 °C (dec.)
• Molecular Weight: 286.250 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 286.021 Da
• Monoisotopic Mass: 286.021 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 63.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3