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131118-61-1 | Thymidine, 5'-deoxy-3'-O-[(1,1-dimethylethyl)dimethylsilyl]-5'-oxo-
CAS No: 131118-61-1 Catalog No: AG000VJC MDL No:
Product Description
Catalog Number:
AG000VJC
Chemical Name:
Thymidine, 5'-deoxy-3'-O-[(1,1-dimethylethyl)dimethylsilyl]-5'-oxo-
CAS Number:
131118-61-1
Molecular Formula:
C16H26N2O5Si
Molecular Weight:
354.4735
IUPAC Name:
(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
InChI:
InChI=1S/C16H26N2O5Si/c1-10-8-18(15(21)17-14(10)20)13-7-11(12(9-19)22-13)23-24(5,6)16(2,3)4/h8-9,11-13H,7H2,1-6H3,(H,17,20,21)/t11-,12+,13+/m0/s1
InChI Key:
STTYRPFHCCYWPO-YNEHKIRRSA-N
SMILES:
O=C[C@H]1O[C@H](C[C@@H]1O[Si](C(C)(C)C)(C)C)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
354.161g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.478g/mol
Monoisotopic Mass:
354.161g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and in vitro cytotoxic and antiviral activities of 1-(2,5,6-trideoxy-6-halogenohept-5-enofuranurononitrile)thymine and derivatives. | Nucleosides, nucleotides & nucleic acids 20020101 |
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