L-Glyceric acid calcium salt dihydrate - ≥97% , CAS No.6057-35-8

CAS: 6057-35-8 Cat. No.: L597582 Molecular Weight: 286.25 Beilstein Registry Number: 6119063

GRADE & PURITY ≥97%

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

Argon charged,Room temperature

Shipped In

Normal

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

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: O.O.OC[C@H](O)C(=O)O[Ca]OC(=O)[C@@H](O)CO
• IUPAC Name: calcium;2,3-dihydroxypropanoate;dihydrate
• InChIKey: OKEVQKKVYQHNFW-UHFFFAOYSA-L
• INCHI: 1S/2C3H6O4.Ca.2H2O/c2*4-1-2(5)3(6)7;;;/h2*2,4-5H,1H2,(H,6,7);;2*1H2/q;;+2;;/p-2
• Isomeric SMILES: C(C(C(=O)[O-])O)O.C(C(C(=O)[O-])O)O.O.O.[Ca+2]
• WGK Germany: 3
• Molecular Weight: 286.25
• Beilstein: 6119063

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 1,2-diols 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 - Sugar acid - Glyceric_acid - Hydroxy acid - Monosaccharide - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic salt - Organic oxide - Organic zwitterion - 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 134 °C
• 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