Ethylenediaminetetraacetic acid calcium Disodium salt hydrate (EDTA-CaNa2) - AR , CAS No.23411-34-9

CAS: 23411-34-9 Cat. No.: E102871 Peso molecular: 374.27 (as Anhydrous) Número EC: 607-231-1

GRADE & PURITY AR

Synonyms

CALCIATE(2-), ((N,N'-1,2-ETHANEDIYLBIS(N-((CARBOXY-.KAPPA.O)METHYL)GLYCINATO-.KAPPA.N,.KAPPA.O))(4-))-, SODIUM, HYDRATE (1:2:2), (OC-6-21)- | Disodium((ethylenedinitrilo)tetraacetato)calciate(2-) hydrate | Calciate(2-),[[N,N'-1,2-ethanediylbis[N-[(carboxy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

CALCIATE(2-), ((N, N'-1, 2-ETHANEDIYLBIS(N-((CARBOXY-.KAPPA.O)METHYL)GLYCINATO-.KAPPA.N, .KAPPA.O))(4-))-, SODIUM, HYDRATE (1:2:2), (OC-6-21)- | Disodium((ethylenedinitrilo)tetraacetato)calciate(2-) hydrate | Calciate(2-), [[N, N'-1, 2-ethanediylbis[N-[(carboxy

Especificaciones y pureza

AR

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

AR

Nombres e identificadores

• Pubchem Sid: 504770706
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770706
• Sonrisas canónicas: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Ca+2]
• IUPAC Name: calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate
• InChIKey: JCQNARRMQCMKAN-UHFFFAOYSA-J
• INCHI: 1S/C10H16N2O8.Ca.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;2*1H2/q;+2;2*+1;;/p-4
• Isómeros SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Ca+2]
• WGK Alemania: 2
• RTECS: EV7700000
• CAS alternativo: 62-33-9；6766-87-6
• Peso molecular: 374.27 (as Anhydrous)
• Reaxy-Rn: 25223450
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25223450&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Alpha amino acids Trialkylamines Carboxylic acid salts Amino acids Organic calcium salts Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Tertiary amine - Tertiary aliphatic amine - Organic calcium salt - Carboxylic acid - Organic alkali metal salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Amine - Organic sodium salt - Organic zwitterion - Organic salt - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• 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: 410.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 410.023 Da
• Monoisotopic Mass: 410.023 Da
• Topological Polar Surface Area: 169.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 293.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 6

XLogP3

Referencias

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3. Min-Xi Li, Yao Chen, Zeng-Ping Chen, Ru-Qin Yu.  (2021)  Quantification of alkaline phosphatase in cell lysates by a simple fluorescence method in combination with a modified standard addition calibration strategy.  CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS,      [PMID:] [10.1016/j.chemolab.2021.104267]

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