N-Acetyladenosine - ≥99% , CAS No.16265-37-5

CAS: 16265-37-5 Cat. No.: N1288609 PubChem CID: 24886781

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥99%

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.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O
• IUPAC Name: N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetamide
• InChIKey: SLLVJTURCPWLTP-WOUKDFQISA-N
• INCHI: 1S/C12H15N5O5/c1-5(19)16-10-7-11(14-3-13-10)17(4-15-7)12-9(21)8(20)6(2-18)22-12/h3-4,6,8-9,12,18,20-21H,2H2,1H3,(H,13,14,16,19)/t6-,8-,9-,12-/m1/s1
• Isomeric SMILES: CC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
• Alternate CAS: 16265-37-5
• PubChem CID: 24886781

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: Glycosylamines Pentoses Purines and purine derivatives N-acetylarylamines Pyrimidines and pyrimidine derivatives Imidolactams N-substituted imidazoles Acetamides Heteroaromatic compounds Oxolanes 1,2-diols Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - N-acetylarylamine - Purine - Imidazopyrimidine - N-arylamide - N-substituted imidazole - Monosaccharide - Pyrimidine - Imidolactam - Azole - Heteroaromatic compound - Oxolane - Imidazole - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - 1,2-diol - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl 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

Chemical and Physical Properties

• Molecular Weight: 309.280 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 309.107 Da
• Monoisotopic Mass: 309.107 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 427.000
• 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