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133040-37-6 | Uridine, 2'-deoxy-5-(4-phenyl-2-thiazolyl)- (9CI)
CAS No: 133040-37-6 Catalog No: AG0011KX MDL No:
Product Description
Catalog Number:
AG0011KX
Chemical Name:
Uridine, 2'-deoxy-5-(4-phenyl-2-thiazolyl)- (9CI)
CAS Number:
133040-37-6
Molecular Formula:
C18H17N3O5S
Molecular Weight:
387.4097
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
InChI:
InChI=1S/C18H17N3O5S/c22-8-14-13(23)6-15(26-14)21-7-11(16(24)20-18(21)25)17-19-12(9-27-17)10-4-2-1-3-5-10/h1-5,7,9,13-15,22-23H,6,8H2,(H,20,24,25)/t13-,14+,15+/m0/s1
InChI Key:
JYGFEAAJLLVCDX-RRFJBIMHSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c2scc(n2)c2ccccc2)c(=O)[nH]c1=O
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
387.089g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
387.41g/mol
Monoisotopic Mass:
387.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of 5-heteroaryl-substituted 2'-deoxyuridines. | Journal of medicinal chemistry 19910601 |
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