[(2R)-4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] acetate


Chemical Name: [(2R)-4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] acetate
CAS Number: 104227-88-5
Product Number: AG008VRI(AGN-PC-05J2UZ)
Synonyms:
MDL No:
Molecular Formula: C12H17N5O3
Molecular Weight: 279.29508

Identification/Properties


Computed Properties
Molecular Weight:
279.3g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
7
Exact Mass:
279.133g/mol
Monoisotopic Mass:
279.133g/mol
Topological Polar Surface Area:
116A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
330
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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 2-[2-(2-Amino-9H-purin-9-yl)ethyl]-3-hydroxypropyl acetate plays a significant role in chemical synthesis as a versatile intermediate. It serves as a key building block in the creation of various pharmaceuticals, particularly those aimed at combating viral infections and certain types of cancer. This compound's unique structure allows it to participate in diverse synthetic pathways, facilitating the production of complex molecules with specific biological activities. By incorporating 2-[2-(2-Amino-9H-purin-9-yl)ethyl]-3-hydroxypropyl acetate into chemical reactions, researchers can access a wide range of potential therapeutic agents and contribute to innovative drug discovery efforts.