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146629-37-0 | Uridine, 2'-deoxy-5-(5-isoxazolyl)- (9CI)
CAS No: 146629-37-0 Catalog No: AG001E6Q MDL No:
Product Description
Catalog Number:
AG001E6Q
Chemical Name:
Uridine, 2'-deoxy-5-(5-isoxazolyl)- (9CI)
CAS Number:
146629-37-0
Molecular Formula:
C12H13N3O6
Molecular Weight:
295.2481
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,2-oxazol-5-yl)pyrimidine-2,4-dione
InChI:
InChI=1S/C12H13N3O6/c16-5-9-7(17)3-10(20-9)15-4-6(8-1-2-13-21-8)11(18)14-12(15)19/h1-2,4,7,9-10,16-17H,3,5H2,(H,14,18,19)/t7-,9+,10+/m0/s1
InChI Key:
KPQSIUAPOSYYJU-FXBDTBDDSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c2ccno2)c(=O)[nH]c1=O
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
295.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.251g/mol
Monoisotopic Mass:
295.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
Literature
| Title | Journal |
|---|---|
| Understanding the binding of 5-substituted 2'-deoxyuridine substrates to thymidine kinase of herpes simplex virus type-1. | Journal of medicinal chemistry 19961122 |
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