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117174-39-7 | Thymidine, 3'-cyano-3'-deoxy-5'-O-[(1,1-dimethylethyl)dimethylsilyl]-
CAS No: 117174-39-7 Catalog No: AG000DUY MDL No:
Product Description
Catalog Number:
AG000DUY
Chemical Name:
Thymidine, 3'-cyano-3'-deoxy-5'-O-[(1,1-dimethylethyl)dimethylsilyl]-
CAS Number:
117174-39-7
Molecular Formula:
C17H27N3O4Si
Molecular Weight:
365.4995
IUPAC Name:
(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile
InChI:
InChI=1S/C17H27N3O4Si/c1-11-9-20(16(22)19-15(11)21)14-7-12(8-18)13(24-14)10-23-25(5,6)17(2,3)4/h9,12-14H,7,10H2,1-6H3,(H,19,21,22)/t12-,13-,14-/m1/s1
InChI Key:
ASRCITJDRZNWOT-MGPQQGTHSA-N
SMILES:
N#C[C@H]1C[C@@H](O[C@@H]1CO[Si](C(C)(C)C)(C)C)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
365.177g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.505g/mol
Monoisotopic Mass:
365.177g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of 3'-C-cyano-3'-deoxynucleosides. | Journal of medicinal chemistry 19890801 |
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