Calcium DL-malate hydrate - ≥98% , CAS No.17482-42-7

CAS: 17482-42-7 Cat. No.: C305183 Summenformel: C₄H₄O₅Ca(free) Molekulargewicht: 172.14(free) EG-Nummer: 241-498-1

GRADE & PURITY ≥98%

Synonyms

UNII-D48OP746DW | CALCIUM MALATE [WHO-DD] | CalciumMalate21per cent | Butanedioic acid, hydroxy-, calcium salt (1:1) | OLOZVPHKXALCRI-UHFFFAOYSA-L | D48OP746DW | DL-MONOCALCIUM MALATE | Calcium 2-hydroxysuccinate(1:x) | INS-352(II) | SCHEMBL121114 | calci

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

UNII-D48OP746DW | CALCIUM MALATE [WHO-DD] | CalciumMalate21per cent | Butanedioic acid, hydroxy-, calcium salt (1:1) | OLOZVPHKXALCRI-UHFFFAOYSA-L | D48OP746DW | DL-MONOCALCIUM MALATE | Calcium 2-hydroxysuccinate(1:x) | INS-352(II) | SCHEMBL121114 | calci

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528764190

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764190

Kanonisches Lächeln

C(C(C(=O)[O-])O)C(=O)[O-].[Ca+2]

IUPAC Name

calcium;2-hydroxybutanedioate

InChIKey

OLOZVPHKXALCRI-UHFFFAOYSA-L

INCHI

1S/C4H6O5.Ca/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+2/p-2

Isomere SMILES

C(C(C(=O)[O-])O)C(=O)[O-].[Ca+2]

Alternative CAS-Nummer

16426-50-9

Molekulargewicht

172.14(free)

Reaxy-Rn

6119872

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6119872&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Fatty acids and conjugates Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid salts Organic calcium salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Short-chain hydroxy acid - Beta-hydroxy acid - Fatty acid - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid salt - Organic calcium salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 172.150 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 171.968 Da
• Monoisotopic Mass: 171.968 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 118.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3