Ribavirin Carboxylic Acid - ≥98% , CAS No.39925-19-4

CAS: 39925-19-4 Cat. No.: R340647 Molecular Weight: 245.19 EC Number: 642-177-2 PubChem CID: 15590160

GRADE & PURITY ≥98%

Synonyms

1-beta-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxylic acid | 1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-1,2,4-triazole-3-carboxylic acid

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Ribavirin carboxylic acid (TR-COOH) is a metabolite of Ribavirin (HY-B0434), Ribavirin has strong antiviral activity.

Specifications

Synonyms

1-beta-D-Ribofuranosyl-1H-1, 2, 4-triazole-3-carboxylic acid | 1-((2R, 3R, 4S, 5R)-3, 4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-1, 2, 4-triazole-3-carboxylic acid

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)O
• IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxylic acid
• InChIKey: JGRLGSOSBSHJIR-FNKGTGPASA-N
• INCHI: 1S/C8H11N3O6/c12-1-3-4(13)5(14)7(17-3)11-2-9-6(10-11)8(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t3-,4-,5-,7-/m1/s1
• Isomeric SMILES: C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)O
• PubChem CID: 15590160
• Molecular Weight: 245.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Triazole ribonucleosides and ribonucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Triazole ribonucleosides and ribonucleotides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazole ribonucleosides and ribonucleotides
• Alternative Parents: Glycosylamines Pentoses Triazoles Oxolanes Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Carboxylic acids Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-ribosyl-1,2,4-triazole - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Monosaccharide - Azole - Heteroaromatic compound - Oxolane - 1,2,4-triazole - Triazole - 1,2-diol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triazole ribonucleosides and ribonucleotides. These are nucleoside derivatives containing a ribose (or deoxyribose) moiety which is N-glycosylated to a triazole. Nucleotides have a phosphate group linked to the C5 carbon of the ribose (or deoxyribose) moiety.
• 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

Associated Targets(Human)

ADK Tchem Adenosine kinase (1481 Activities)

Discover Target: ADK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 245.190 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 245.065 Da
• Monoisotopic Mass: 245.065 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 303.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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