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Ethylenediaminetetraacetic acid calcium Disodium salt hydrate - Analytical Reagent, high purity , CAS No.23411-34-9
Basic Description
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
Specifications & Purity
AR
Shipped In
Normal
Grade
AR
Taxonomic Classification
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 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
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.
Names and Identifiers
Pubchem Sid
504770706
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770706
IUPAC Name
calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate
INCHI
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
InChIKey
JCQNARRMQCMKAN-UHFFFAOYSA-J
Smiles
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Ca+2]
Isomeric SMILES
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Ca+2]
WGK Germany
2
RTECS
EV7700000
Alternate CAS
62-33-9；6766-87-6
Molecular Weight
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
410.300 g/mol
XLogP3
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
Citations of This Product
1.
Xuan Pei, Linnan Wang, Lina Wu, Haoyuan Lei, Zhimou Zeng, Lei Wang, Changchun Zhou, Xi Yang, Yueming Song, Yujiang Fan.
(2023)
In-situ synthesized hydroxyapatite whiskers on 3D printed titanium cages enhanced osteointegration in a goat spinal fusion model. MATERIALS & DESIGN,
(112270).
2.
Hua Wei, Zhenwu Wang, Hua Zhang, Youju Huang, Zongbao Wang, Yang Zhou, Ben Bin Xu, Sami Halila, Jing Chen.
(2021)
Ultrastretchable, Highly Transparent, Self-Adhesive, and 3D-Printable Ionic Hydrogels for Multimode Tactical Sensing. CHEMISTRY OF MATERIALS,
33
(17):
(6731–6742).
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,
210
(104267).
4.
Shanshan Tie, Wentao Su, Xuedi Zhang, Yannan Chen, Xue Zhao, Mingqian Tan.
(2021)
pH-Responsive Core–Shell Microparticles Prepared by a Microfluidic Chip for the Encapsulation and Controlled Release of Procyanidins. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,
69
(5):
(1466–1477).
5.
Jiaxiu Li, Chunling Zhang, Hui Liu, Jiechao Liu, Zhonggao Jiao.
(2020)
Profiles of Sugar and Organic Acid of Fruit Juices: A Comparative Study and Implication for Authentication. JOURNAL OF FOOD QUALITY,
2020
(7236534).
6.
Peng Mengke, Hu Fenyan, Du Minting, Mai Bingjie, Zheng Shurong, Liu Peng, Wang Changhao, Chen Yashao.
(2020)
Hydrothermal growth of hydroxyapatite and ZnO bilayered nanoarrays on magnesium alloy surface with antibacterial activities. Frontiers of Materials Science,
14
(1):
(14-23).
7.
Ying Huang, Zhengwei Huang, Mingjun Wu, Yanpeng Liu, Cheng Ma, Xuejuan Zhang, Ziyu Zhao, Xuequn Bai, Hu Liu, Lili Wang, Xin Pan, Chuanbin Wu.
(2019)
Modified-release oral pellets for duodenum delivery of doxycycline hyclate. DRUG DEVELOPMENT RESEARCH,
80
(7):
(958-969).
8.
Shengjie Jiang, Hua Jing, Yu Zhuang, Jinjie Cui, Zeyu Fu, Dejian Li, Cancan Zhao, Usman Liaqat, Kaili Lin.
(2024)
BMSCs-laden mechanically reinforced bioactive sodium alginate composite hydrogel microspheres for minimally invasive bone repair. CARBOHYDRATE POLYMERS,
332
(121933).
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8 Citations
F2512323