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L-Threonic acid hemicalcium salt - 10mM in Water, high purity , CAS No.70753-61-6
Basic Description
Synonyms
Calcium L-Threonate | 70753-61-6 | L-Threonic acid calcium salt | Calcium (2R,3S)-2,3,4-trihydroxybutanoate | Calcium threonate | Threonine, calcium salt | HBB4YPO93U | Butanoic acid, 2,3,4-trihydroxy-, calcium salt (2:1), (2R,3S)- | Butanoic acid, 2,3,4-trihydroxy-, cal
Specifications & Purity
10mM in Water
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Application：
Reactant involved in:
Synthesis of cyclic hydroxamates and substituted oxazinanones
Oxidative degradation to yield oxalate complexes
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Sugar acids and derivatives
Alternative Parents
Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Secondary alcohols Carboxylic acid salts Polyols Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Beta-hydroxy acid - Sugar acid - Short-chain hydroxy acid - Hydroxy acid - Fatty acid - Monosaccharide - Carboxylic acid salt - Secondary alcohol - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organic salt - Primary alcohol - Organic zwitterion - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
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
IUPAC Name
calcium;(2R,3S)-2,3,4-trihydroxybutanoate
INCHI
InChI=1S/2C4H8O5.Ca/c2*5-1-2(6)3(7)4(8)9;/h2*2-3,5-7H,1H2,(H,8,9);/q;;+2/p-2/t2*2-,3+;/m00./s1
InChIKey
ZJXGOFZGZFVRHK-BALCVSAKSA-L
Smiles
C(C(C(C(=O)[O-])O)O)O.C(C(C(C(=O)[O-])O)O)O.[Ca+2]
Isomeric SMILES
C([C@@H]([C@H](C(=O)[O-])O)O)O.C([C@@H]([C@H](C(=O)[O-])O)O)O.[Ca+2]
WGK Germany
3
Molecular Weight
310.27
Beilstein
5166008
Reaxy-Rn
17184409
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17184409&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Specific Rotation[α]
15 ° (C=1, H2O)
Melt Point(°C)
300°C
Molecular Weight
310.270 g/mol
XLogP3
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
4
Exact Mass
310.021 Da
Monoisotopic Mass
310.021 Da
Topological Polar Surface Area
202.000 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
95.600
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
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
3
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