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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino Calcium levulinate dihydrate - ≥98% , CAS No.591-64-0
Synonyms
CALCIUM LEVULINATE (1:2)|Calcium levulinate dihydrate|Laevucalcin|Levulinic Acid Calcium Salt|calcium;4-oxopentanoate|Flanthin|Levulinic acid, calcium salt|calcium 4-oxidanylidenepentanoate|CALCIUM LEVULINATE [MI]|Calcium-diasporal|Pentanoic acid, 4-oxo-, calcium salt|4-Oxovaleric Acid Calcium Salt|(2-ETHYL-1H-BENZIMIDAZOL-1-YL)ACETICACID|Calcium bis(4-oxovalerate)|Calcium levulinate anhydrous|Pentanoic acid, 4-oxo-, calcium salt (2:1)|calcium laevulinate|Calcium pharmacon|3-Acetylpropionic Acid Calcium Salt|Mil-U-cal|Calcium 4-oxopentanoate|Levucal|CALCIUM LAEVULINATE [WHO-DD]|CALCIUM LEVULINATE|Levulin calcid|Fruit sour calcium|Calciumbis(4-oxovalerat)
Storage
Room temperature,Argon charged
Specifiche Sinonimi
CALCIUM LEVULINATE (1:2) | Calcium levulinate dihydrate | Laevucalcin | Levulinic Acid Calcium Salt | calcium;4-oxopentanoate | Flanthin | Levulinic acid, calcium salt | calcium 4-oxidanylidenepentanoate | CALCIUM LEVULINATE [MI] | Calcium-diasporal | Pentanoic acid, 4-oxo-, calcium salt | 4-Oxovaleric Acid Calcium Salt | (2-ETHYL-1H-BENZ Mostra altro
Condizioni di conservazione di stoccaggio
Room temperature,Argon charged
Nomi e identificatori Sorrisi canonici
CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2]
IUPAC Name
calcium;4-oxopentanoate
InChIKey
APKDPOQXVKRLEP-UHFFFAOYSA-L
INCHI
1S/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2
Isomeri SMILES
CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2]
CAS alternativo
5743-49-7
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6301318&ln=
Dati avanzati Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Classe Keto acids and derivatives Subclass Gamma-keto acids and derivatives Intermediate Tree Nodes Not available Direct Parent Gamma-keto acids and derivatives Alternative Parents Short-chain keto acids and derivatives Ketones Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Not available Substituents Gamma-keto acid - Short-chain keto acid - Ketone - Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound Descrizione This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. External Descriptors organic molecular entity 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.
Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 270.290 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 270.042 Da Monoisotopic Mass 270.042 Da Topological Polar Surface Area 114.000 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 101.000 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 3
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