2-Methylthioadenosine - ≥98% , CAS No.4105-39-9

CAS: 4105-39-9 Cat. No.: M1337135 PubChem CID: 3080604

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• カノニカル・スマイル: CSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
• IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
• InChIKey: AJNDEAZTAFKOOO-KQYNXXCUSA-N
• INCHI: 1S/C11H15N5O4S/c1-21-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)20-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1
• 異性体SMILES: CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
• 代替CAS番号: 4105-39-9
• PubChem CID: 3080604
• MeSH用語: 2-methylthioadenosine

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 分類: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: Glycosylamines 6-aminopurines Pentoses Alkylarylthioethers Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Oxolanes Secondary alcohols Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Monosaccharide - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Oxolane - Secondary alcohol - Sulfenyl compound - Thioether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Primary alcohol - Primary amine - Organosulfur compound - Aromatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 313.340 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 313.084 Da
• Monoisotopic Mass: 313.084 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 381.000
• 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