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Trimagnesium Dicitrate Nonahydrate - Analytical Reagent, high purity , CAS No.153531-96-5
Basic Description
Synonyms
Magnesium 2-hydroxypropane-1,2,3-tricarboxylate--water (3/2/9) | I10B9YK3MA | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, magnesium salt (2:3),nonahydrate | IYQJAGXFXWIEJE-UHFFFAOYSA-H | trimagnesium;2-hydroxypropane-1,2,3-tricarboxylate;nonahydrate | 1,
Specifications & Purity
AR
Shipped In
Normal
Grade
AR
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Tricarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tricarboxylic acids and derivatives
Alternative Parents
Tertiary alcohols Carboxylic acid salts Carboxylic acids Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three 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
504771120
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504771120
IUPAC Name
trimagnesium;2-hydroxypropane-1,2,3-tricarboxylate;nonahydrate
INCHI
InChI=1S/2C6H8O7.3Mg.9H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;9*1H2/q;;3*+2;;;;;;;;;/p-6
InChIKey
IYQJAGXFXWIEJE-UHFFFAOYSA-H
Smiles
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2]
Isomeric SMILES
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2]
WGK Germany
3
RTECS
TZ8552900
Alternate CAS
3344-18-1
Molecular Weight
613.25
Beilstein
6674777
Reaxy-Rn
21835099
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21835099&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive.
Molecular Weight
613.250 g/mol
XLogP3
Hydrogen Bond Donor Count
11
Hydrogen Bond Acceptor Count
23
Rotatable Bond Count
4
Exact Mass
612.057 Da
Monoisotopic Mass
612.057 Da
Topological Polar Surface Area
290.000 Ų
Heavy Atom Count
38
Formal Charge
0
Complexity
211.000
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
14
Citations of This Product
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1 Citations
F2511366