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

CAS: 62-33-9 Cat. No.: E580589 분자식: C₁₀H₁₂CaN₂Na₂O₈·xH₂O 분자량: 374.27 EC 번호: 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

동의어

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

사양 및 순도

10mM in Water

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ca+2]
• PubChem CID: 6093170
• 분자량: 374.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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

XLogP3