3-Deazaadenosine - ≥97% , CAS No.6736-58-9

CAS: 6736-58-9 Cat. No.: D768882 Fórmula: C₁₁H₁₄N₄O₄ Peso molecular: 266.25 PubChem CID: 23190

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: C1=CN=C(C2=C1N(C=N2)C3C(C(C(O3)CO)O)O)N
• IUPAC Name: (2R,3R,4S,5R)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
• InChIKey: DBZQFUNLCALWDY-PNHWDRBUSA-N
• INCHI: 1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
• SMILES isoméricas: C1=CN=C(C2=C1N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
• WGK Alemanha: 3
• PubChem CID: 23190
• Peso molecular: 266.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Imidazole[4,5-c]pyridine ribonucleosides and ribonucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Imidazole[4,5-c]pyridine ribonucleosides and ribonucleotides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazole[4,5-c]pyridine ribonucleosides and ribonucleotides
• Alternative Parents: Glycosylamines Pentoses Imidazo-[4,5-c]pyridines Aminopyridines and derivatives N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazole[4,5-c]pyridine ribonucleoside,ribonucleotide or analogue - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Imidazopyridine - Imidazo-[4,5-c]pyridine - Aminopyridine - Monosaccharide - Imidolactam - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Tetrahydrofuran - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Primary amine - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as imidazole[4,5-c]pyridine ribonucleosides and ribonucleotides. These are organic compounds in which the C-1 of a ribosyl moiety is N-linked to an imidazole[4,5-c]pyridine ring system. 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

Propriedades químicas e físicas

• Peso molecular: 266.250 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 266.102 Da
• Monoisotopic Mass: 266.102 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 334.000
• 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

Perguntas frequentes

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

The CAS Number is 6736-58-9, the molecular formula is C11H14N4O4, and the molecular weight is 266.25 g/mol. InChIKey DBZQFUNLCALWDY-PNHWDRBUSA-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.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.