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[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen dipho sphate (non-preferred name)(CAS: 85-61-0)

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen dipho
sphate (non-preferred name)
CAS Number

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Basic Information

Molecular Formula
C21H36N7O16P3S
Molecular Weight
767.54 g/mol

Physical Properties

Density
1.96±0.1 g/cm3(Predicted)

Chemical Identifiers

SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
InChIKey
RGJOEKWQDUBAIZ-IBOSZNHHSA-N

Database References

MDL Number
MFCD24368566

FAQ

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (CAS: 85-61-0) is a complex organic phosphate compound. It contains a purine ring, a tetrahydrofuran ring, and multiple functional groups including hydroxyl, amino, and phosphonate moieties. This compound is known for its structural complexity and potential biological activity.
This compound is primarily used in pharmaceutical research, particularly in the development of antiviral and antifungal agents. Its complex structure suggests potential applications in drug design targeting nucleic acid metabolism. It may also be used in biochemical studies and as a precursor in synthetic chemistry due to its functional group diversity.
Safety data for this compound is limited, but as a phosphate derivative, it may pose risks related to skin and eye irritation. Handling should be done with appropriate personal protective equipment (PPE), such as gloves and goggles. It is essential to follow safety guidelines for chemical handling and storage to ensure minimal exposure and prevent adverse effects.
This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It should be kept in a tightly sealed container to prevent moisture absorption and contamination. Avoid exposure to air and light to maintain stability and prolong shelf life.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information