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133040-38-7 | Uridine, 2'-deoxy-5-(4-methyl-2-thiazolyl)- (9CI)
CAS No: 133040-38-7 Catalog No: AG0011KW MDL No:
Product Description
Catalog Number:
AG0011KW
Chemical Name:
Uridine, 2'-deoxy-5-(4-methyl-2-thiazolyl)- (9CI)
CAS Number:
133040-38-7
Molecular Formula:
C13H15N3O5S
Molecular Weight:
325.3403
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
InChI:
InChI=1S/C13H15N3O5S/c1-6-5-22-12(14-6)7-3-16(13(20)15-11(7)19)10-2-8(18)9(4-17)21-10/h3,5,8-10,17-18H,2,4H2,1H3,(H,15,19,20)/t8-,9+,10+/m0/s1
InChI Key:
UEVROUDNJQKVJJ-IVZWLZJFSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c2scc(n2)C)c(=O)[nH]c1=O
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
325.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.339g/mol
Monoisotopic Mass:
325.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of 5-heteroaryl-substituted 2'-deoxyuridines. | Journal of medicinal chemistry 19910601 |
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