Gs-9148 , CAS No.875608-25-6

CAS: 875608-25-6 Cat. No.: G952789 分子式: C₁₀H₁₁FN₅O₅P 分子量: 331.200

Storage

Room temperature

Specifications

保管条件

Room temperature

アクションタイプ

INHIBITOR

名前と識別子

カノニカル・スマイル

C1=C([C@@H](O[C@@H]1OCP(=O)(O)O)N2C=NC3=C(N=CN=C32)N)F

IUPAC Name

[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid

InChIKey

MPSGQQOHTJUJKB-QUBYGPBYSA-N

INCHI

1S/C10H11FN5O5P/c11-5-1-6(20-4-22(17,18)19)21-10(5)16-3-15-7-8(12)13-2-14-9(7)16/h1-3,6,10H,4H2,(H2,12,13,14)(H2,17,18,19)/t6-,10+/m0/s1

分子量

331.200

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives Primary aromatic amines Imidolactams N-substituted imidazoles Dihydrofurans Heteroaromatic compounds Organic phosphonic acids Acetals Vinyl fluorides Azacyclic compounds Oxacyclic compounds Fluoroalkenes Organopnictogen compounds Hydrocarbon derivatives Organophosphorus compounds Organofluorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - N-substituted imidazole - Primary aromatic amine - Imidolactam - Pyrimidine - Azole - Dihydrofuran - Imidazole - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Acetal - Oxacycle - Azacycle - Fluoroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Organofluoride - Organic oxygen compound - Amine - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Primary amine - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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: 331.200 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 331.048 Da
• Monoisotopic Mass: 331.048 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 504.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

よくある質問

How should this product be stored?

Store at room temperature.

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

The CAS Number is 875608-25-6, the molecular formula is C10H11FN5O5P, and the molecular weight is 331.200 g/mol. InChIKey MPSGQQOHTJUJKB-QUBYGPBYSA-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.