Inosine, 2-chloro-


Chemical Name: Inosine, 2-chloro-
CAS Number: 13276-43-2
Product Number: AG00114O(AGN-PC-0O12H0)
Synonyms:
MDL No:
Molecular Formula: C10H11ClN4O5
Molecular Weight: 302.6711

Identification/Properties


Computed Properties
Molecular Weight:
302.671g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
302.042g/mol
Monoisotopic Mass:
302.042g/mol
Topological Polar Surface Area:
129A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
449
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



The compound ($name$) containing (2R,3R,4S,5R)-2-(2-Chloro-6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol is commonly utilized in chemical synthesis as a versatile building block. Due to its unique structure and functional groups, this compound serves as a key intermediate in the synthesis of various nucleoside analogs, pharmaceuticals, and bioactive molecules. Its strategic positioning allows for selective modification at specific sites, enabling chemists to create new compounds with desired properties. The hydroxyl groups present in the tetrahydrofuran ring and purine moiety offer opportunities for derivatization, leading to the synthesis of diverse molecular structures. Whether employed in the development of antiviral agents, nucleoside antibiotics, or other biologically active compounds, the precise stereochemistry of ($name$) plays a crucial role in determining the final properties and activities of the synthesized molecules.