6'-Sialyllactose Sodium Salt - ≥98%(HPLC) , CAS No.157574-76-0

CAS: 157574-76-0 Cat. No.: S161056 Molecular Weight: 655.53 EC Number: 881-537-5 PubChem CID: 132285181

GRADE & PURITY ≥98%(HPLC)

Synonyms

D-GLUCOSE, O-(N-ACETYL-.ALPHA.-NEURAMINOSYL)-(2->6)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-, SODIUM SALT (1:1) | AKOS037645845 | AS-64108 | 6'-Sialyllactose sodium salt | Sodium 6'-sialyllactose | D-Glucose, O-(N-acetyl-alpha-neuraminosyl)-(2->6)-o-beta-D-gal

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

D-GLUCOSE, O-(N-ACETYL-.ALPHA.-NEURAMINOSYL)-(2->6)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-, SODIUM SALT (1:1) | AKOS037645845 | AS-64108 | 6'-Sialyllactose sodium salt | Sodium 6'-sialyllactose | D-Glucose, O-(N-acetyl-alpha-neuraminosyl)-(2->6)-o-beta-D-gal

Specifications & Purity

≥98%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488202785
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202785
• Canonical Smiles: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OCC2C(C(C(C(O2)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O.[Na+]
• IUPAC Name: sodium;(2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylate
• InChIKey: LJNVKOGOHXWREM-MZZLGFSDSA-M
• INCHI: 1S/C23H39NO19.Na/c1-7(28)24-13-8(29)2-23(22(38)39,43-20(13)15(34)10(31)4-26)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-27)14(33)9(30)3-25;/h3,8-21,26-27,29-37H,2,4-6H2,1H3,(H,24,28)(H,38,39);/q;+1/p-1/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+;/m0./s1
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O.[Na+]
• Alternate CAS: 74609-39-5
• PubChem CID: 132285181
• Molecular Weight: 655.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Glucuronic acid derivatives
            • Level7 Glucuronides
              • Level8 C-glucuronides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides
• Direct Parent: C-glucuronides
• Alternative Parents: C-glycosyl compounds Short-chain hydroxy acids and derivatives Ketals Pyrans Oxanes Monosaccharides Fatty acids and conjugates Beta-hydroxy aldehydes Alpha-hydroxyaldehydes Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: C-glucuronide - Glycosyl compound - C-glycosyl compound - Ketal - Short-chain hydroxy acid - Fatty acid - Pyran - Oxane - Monosaccharide - Beta-hydroxy aldehyde - Alpha-hydroxyaldehyde - Secondary alcohol - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carboximidic acid - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organonitrogen compound - Aldehyde - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as c-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a C-glycosidic bond.
• 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

• Sensitivity: heat sensitive
• Molecular Weight: 655.500 g/mol
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 15
• Exact Mass: 655.194 Da
• Monoisotopic Mass: 655.194 Da
• Topological Polar Surface Area: 346.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 934.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 15
• 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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