Calcium lactate - ≥98% , CAS No.814-80-2

CAS: 814-80-2 Cat. No.: C304709 Peso molecular: 218.22 Número EC: 212-406-7

GRADE & PURITY ≥98%

Synonyms

NCGC00256365-01 | DB13231 | EC 212-406-7 | Calcium lactate [FCC] | CALCIUM LACTATE, ANHYDROUS [EP IMPURITY] | calcium dl-lactate | DTXSID0020236 | Propanoic acid, 2-hydroxy-, calcium salt (2:1) | Calcium lactate [HSDB] | Calcium lactate [WHO-DD] | CALCIUM

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

NCGC00256365-01 | DB13231 | EC 212-406-7 | Calcium lactate [FCC] | CALCIUM LACTATE, ANHYDROUS [EP IMPURITY] | calcium dl-lactate | DTXSID0020236 | Propanoic acid, 2-hydroxy-, calcium salt (2:1) | Calcium lactate [HSDB] | Calcium lactate [WHO-DD] | CALCIUM

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181797
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181797
• Sonrisas canónicas: CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2]
• IUPAC Name: calcium;2-hydroxypropanoate
• InChIKey: MKJXYGKVIBWPFZ-UHFFFAOYSA-L
• INCHI: 1S/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2
• Isómeros SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2]
• Peso molecular: 218.22
• Reaxy-Rn: 4923285
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4923285&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid salts
• Alternative Parents: Secondary alcohols Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Secondary alcohol - Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
• 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

Propiedades químicas y físicas

• Peso molecular: 218.220 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 218.01 Da
• Monoisotopic Mass: 218.01 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 53.500
• 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: 3

XLogP3

Referencias

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