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133070-83-4 | Uridine, 2'-deoxy-5-(3-phenyl-5-isoxazolyl)- (9CI)
CAS No: 133070-83-4 Catalog No: AG00145Q MDL No:
Product Description
Catalog Number:
AG00145Q
Chemical Name:
Uridine, 2'-deoxy-5-(3-phenyl-5-isoxazolyl)- (9CI)
CAS Number:
133070-83-4
Molecular Formula:
C18H17N3O6
Molecular Weight:
371.3441
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-phenyl-1,2-oxazol-5-yl)pyrimidine-2,4-dione
InChI:
InChI=1S/C18H17N3O6/c22-9-15-13(23)7-16(26-15)21-8-11(17(24)19-18(21)25)14-6-12(20-27-14)10-4-2-1-3-5-10/h1-6,8,13,15-16,22-23H,7,9H2,(H,19,24,25)/t13-,15+,16+/m0/s1
InChI Key:
OMVJZCCMNRCBRW-NUEKZKHPSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c2onc(c2)c2ccccc2)c(=O)[nH]c1=O
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
371.112g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
371.349g/mol
Monoisotopic Mass:
371.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of 5-heteroaryl-substituted 2'-deoxyuridines. | Journal of medicinal chemistry 19910601 |
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