Sodium Lactobionate - ≥99% , CAS No.27297-39-8

CAS: 27297-39-8 Cat. No.: S192464 Molecular Weight: 398.29 PubChem CID: 53486225

GRADE & PURITY ≥99%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488201649
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201649
• Canonical Smiles: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.[Na+]
• IUPAC Name: sodium;(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
• InChIKey: AQKFVNLHZYOMKQ-WWNCWODVSA-M
• INCHI: 1S/C12H22O12.Na/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;/h3-10,12-20H,1-2H2,(H,21,22);/q;+1/p-1/t3-,4-,5+,6+,7-,8-,9-,10-,12+;/m1./s1
• Isomeric SMILES: 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.[Na+]
• PubChem CID: 53486225
• Molecular Weight: 398.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acyl glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acyl glycosides of mono- and disaccharides
• Alternative Parents: Disaccharides O-glycosyl compounds Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Sugar acids and derivatives Beta hydroxy acids and derivatives Hydroxy fatty acids Oxanes Secondary alcohols Carboxylic acid salts Acetals Polyols Carboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Hydrocarbon derivatives Organic zwitterions Organic sodium salts Organic oxides Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Gluconic_acid - O-glycosyl compound - Glycosyl compound - Disaccharide - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Hydroxy acid - Oxane - Fatty acid - Carboxylic acid salt - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid - Organic alkali metal salt - Oxacycle - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Organic oxygen compound - Organooxygen compound - Primary alcohol - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Aliphatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 160-170°C
• Molecular Weight: 380.280 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 380.093 Da
• Monoisotopic Mass: 380.093 Da
• Topological Polar Surface Area: 220.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 412.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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: 2

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