sialic acid - Moligand™ , CAS No.S613578

CAS: S613578 Cat. No.: S613578 PubChem CID: 14017587

GRADE & PURITY Moligand™

Synonyms

N-ACETYLNEURAMINIC ACID [USP-RS] | 1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate | NCGC00166276-06 | UNII-GZP2782OP0 | Aceneuramic acid (JAN/USAN) | GTPL4644 | acidum aceneuramicum | EINECS 205-023-1 | 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-n

Storage

Room temperature

Specifications

Synonyms

N-ACETYLNEURAMINIC ACID [USP-RS] | 1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate | NCGC00166276-06 | UNII-GZP2782OP0 | Aceneuramic acid (JAN/USAN) | GTPL4644 | acidum aceneuramicum | EINECS 205-023-1 | 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-n

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: OC[C@H]([C@H]([C@@H]([C@@H]([C@H](CC(=O)C(=O)O)O)NC(=O)C)O)O)O
• IUPAC Name: (4S,5R,6R,7S,8R)-5-acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoic acid
• InChIKey: KBGAYAKRZNYFFG-BOHATCBPSA-N
• INCHI: 1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1
• Isomeric SMILES: CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O
• PubChem CID: 14017587

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Nonoses Medium-chain keto acids and derivatives Amino fatty acids Hydroxy fatty acids Alpha-keto acids and derivatives Beta-hydroxy ketones Acetamides Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Polyols Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Primary alcohols Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nonose monosaccharide - Medium-chain keto acid - Amino fatty acid - Sugar acid - Hydroxy fatty acid - Alpha-keto acid - Beta-hydroxy ketone - Fatty acyl - Keto acid - Monosaccharide - Alpha-hydroxy ketone - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Polyol - Organopnictogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 309.270 g/mol
• XLogP3: -4.200
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 309.106 Da
• Monoisotopic Mass: 309.106 Da
• Topological Polar Surface Area: 185.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 386.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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: 1

Frequently Asked Questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is S613578. InChIKey KBGAYAKRZNYFFG-BOHATCBPSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.