sodium;N-[9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]butanamide


Chemical Name: sodium;N-[9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]butanamide
CAS Number: 70253-67-7
Product Number: AG005KFT(AGN-PC-078JRV)
Synonyms:
MDL No:
Molecular Formula: C14H17N5NaO7P
Molecular Weight: 421.2776

Identification/Properties


Properties
MP:
>200°C (dec.)
Storage:
Keep in dry area;-10 ℃;Inert atmosphere;
Computed Properties
Molecular Weight:
421.282g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
4
Exact Mass:
421.076g/mol
Monoisotopic Mass:
421.076g/mol
Topological Polar Surface Area:
161A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
633
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



N6-Monobutyryladenosine 3':5'-cyclic monophosphate sodium salt is a key compound utilized in chemical synthesis for its unique properties and versatility. This compound serves as a crucial intermediate in the creation of various nucleotide analogs and modified nucleic acids. It acts as a building block in the synthesis of cyclic nucleotide derivatives, which play essential roles in biochemical research and drug discovery. With its ability to be incorporated into oligonucleotides, N6-Monobutyryladenosine 3':5'-cyclic monophosphate sodium salt enables the production of tailor-made nucleic acid structures for a wide range of applications, including gene expression studies, molecular diagnostics, and therapeutic development. Its importance in chemical synthesis lies in its role as a strategic tool for designing custom nucleotide sequences with enhanced properties and functionalities.