Calcium Bromolactobionate - ≥95% , CAS No.33659-28-8

CAS: 33659-28-8 Cat. No.: C1234640 Formula: C₂₄H₄₂Br₂Ca₂O₂₄ Peso molecolare: 954.5 Numero EC: 251-616-3

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Ca+2].[Ca+2].[Br-].[Br-]
• IUPAC Name: dicalcium;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate;dibromide
• InChIKey: SPLCCDNCDMBUIX-FQBLWANUSA-J
• INCHI: 1S/2C12H22O12.2BrH.2Ca/c2*13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;;;;/h2*3-10,12-20H,1-2H2,(H,21,22);2*1H;;/q;;;;2*+2/p-4/t2*3-,4-,5+,6+,7-,8-,9-,10-,12+;;;;/m11..../s1
• Peso molecolare: 954.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acyl glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acyl glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acyl glycosides of mono- and disaccharides
• Alternative Parents: O-glycosyl compounds Disaccharides Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Sugar acids and derivatives Hydroxy fatty acids Heterocyclic fatty acids Beta hydroxy acids and derivatives Oxanes Secondary alcohols Carboxylic acid salts Polyols Oxacyclic compounds Organic metal halides Organic metal bromide salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Acetals Primary alcohols Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Gluconic_acid - O-glycosyl compound - Glycosyl compound - Disaccharide - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Beta-hydroxy acid - Fatty acid - Oxane - Hydroxy acid - Secondary alcohol - Carboxylic acid salt - Organic calcium salt - Organic metal halide - Oxacycle - Organic metal bromide salt - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 954.500 g/mol
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 14
• Exact Mass: 953.966 Da
• Monoisotopic Mass: 951.968 Da
• Topological Polar Surface Area: 441.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 400.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• 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: 6

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