Edetate calcium disodium - 10mM in Water , CAS No.62-33-9

CAS: 62-33-9 Cat. No.: E580589 Formula: C₁₀H₁₂CaN₂Na₂O₈·xH₂O Molecular Weight: 374.27 EC Number: 200-529-9 PubChem CID: 6093170

GRADE & PURITY 10mM in Water

Synonyms

DB14598 | Q-201095 | Sodium calcium edetate [INN] | Calcium disodium EDTA | EDETATE CALCIUM DISODIUM (ANHYDROUS) [HSDB] | Ethylenediaminetetraaceticacidcalciumdisodiumsalt | Sormetal | Sodium calcium edetate;EDTA calcium disodium;Ethylenediaminetetraaceti

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

DB14598 | Q-201095 | Sodium calcium edetate [INN] | Calcium disodium EDTA | EDETATE CALCIUM DISODIUM (ANHYDROUS) [HSDB] | Ethylenediaminetetraaceticacidcalciumdisodiumsalt | Sormetal | Sodium calcium edetate;EDTA calcium disodium;Ethylenediaminetetraaceti

Specifications & Purity

10mM 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(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ca+2]
• IUPAC Name: calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
• InChIKey: SHWNNYZBHZIQQV-UHFFFAOYSA-J
• INCHI: 1S/C10H16N2O8.Ca.2Na/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);;;/q;+2;2*+1/p-4
• Isomeric SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ca+2]
• PubChem CID: 6093170
• Molecular Weight: 374.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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 Organopnictogen compounds 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 - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid - Organic alkali metal salt - Organic calcium salt - Organic sodium salt - Organic salt - Organic zwitterion - Amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 374.270 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 374.001 Da
• Monoisotopic Mass: 374.001 Da
• Topological Polar Surface Area: 167.000 Ų
• Heavy Atom Count: 23
• 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: 4

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