L-Threonic acid hemicalcium salt - 10mM in Water , CAS No.70753-61-6

CAS: 70753-61-6 Cat. No.: L425615 Peso molecular: 310.27 Beilstein Registry Number: 5166008

GRADE & PURITY 10mM in Water

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Application：

Reactant involved in:

Synthesis of cyclic hydroxamates and substituted oxazinanones

Oxidative degradation to yield oxalate complexes

Specifications

Sinónimos

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

Especificaciones y pureza

10mM in Water

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

• Sonrisas canónicas: C(C(C(C(=O)[O-])O)O)O.C(C(C(C(=O)[O-])O)O)O.[Ca+2]
• IUPAC Name: calcium;(2R,3S)-2,3,4-trihydroxybutanoate
• InChIKey: ZJXGOFZGZFVRHK-BALCVSAKSA-L
• 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
• Isómeros 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 Alemania: 3
• Peso molecular: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Rotación específica [α]: 15 ° (C=1, H2O)
• Punto de fusión (°C): 300°C
• Peso molecular: 310.270 g/mol
• 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

XLogP3

Referencias

1. Yang Le, Wang Jie, Li Peng, Guo Yuxi, Li Siyuan, Liu Shuangyu, Lou Yingying, Qi Jinlong, Yang Qian.  (2025)  Metabolomic biomarkers discovery across chronic gastritis to gastric cancer progression.  Scientific Reports,  15  (1): (1-13).  [PMID:41023363] [10.1038/s41598-025-19005-7]