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

CAS: 875608-25-6 Cat. No.: G952789 Formule: C₁₀H₁₁FN₅O₅P Poids moléculaire: 331.200

Storage

Room temperature

Specifications

Conditions de stockage de stockage

Room temperature

Type d'action

INHIBITOR

Noms et identifiants

Sourires canoniques

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

Poids moléculaire

331.200

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.