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133040-36-5 | Uridine, 2'-deoxy-5-(2-thiazolyl)-
CAS No: 133040-36-5 Catalog No: AG0011JK MDL No:
Product Description
Catalog Number:
AG0011JK
Chemical Name:
Uridine, 2'-deoxy-5-(2-thiazolyl)-
CAS Number:
133040-36-5
Molecular Formula:
C12H13N3O5S
Molecular Weight:
311.3137
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrimidine-2,4-dione
InChI:
InChI=1S/C12H13N3O5S/c16-5-8-7(17)3-9(20-8)15-4-6(10(18)14-12(15)19)11-13-1-2-21-11/h1-2,4,7-9,16-17H,3,5H2,(H,14,18,19)/t7-,8+,9+/m0/s1
InChI Key:
CJYNUNQROFDZQF-DJLDLDEBSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c2nccs2)c(=O)[nH]c1=O
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
311.058g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.312g/mol
Monoisotopic Mass:
311.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| 5-(5-Bromothien-2-yl)-2'-deoxyuridine and 5-(5-chlorothien-2-yl)-2'-deoxyuridine are equipotent to (E)-5-(2-bromovinyl)-2'-deoxyuridine in the inhibition of herpes simplex virus type I replication. | Journal of medicinal chemistry 19910801 |
| Synthesis and antiviral activity of 5-heteroaryl-substituted 2'-deoxyuridines. | Journal of medicinal chemistry 19910601 |
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