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133040-31-0 | Uridine, 5-(3-bromo-5-isoxazolyl)-2'-deoxy- (9CI)
CAS No: 133040-31-0 Catalog No: AG0011JM MDL No:
Product Description
Catalog Number:
AG0011JM
Chemical Name:
Uridine, 5-(3-bromo-5-isoxazolyl)-2'-deoxy- (9CI)
CAS Number:
133040-31-0
Molecular Formula:
C12H12BrN3O6
Molecular Weight:
374.1442
IUPAC Name:
5-(3-bromo-1,2-oxazol-5-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C12H12BrN3O6/c13-9-2-7(22-15-9)5-3-16(12(20)14-11(5)19)10-1-6(18)8(4-17)21-10/h2-3,6,8,10,17-18H,1,4H2,(H,14,19,20)/t6-,8+,10+/m0/s1
InChI Key:
YRCHLXHSNHGYIQ-SKWCMTHISA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c2onc(c2)Br)c(=O)[nH]c1=O
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
372.991g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
374.147g/mol
Monoisotopic Mass:
372.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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 |
| Synthesis and antiviral activity of 5-heteroaryl-substituted 2'-deoxyuridines. | Journal of medicinal chemistry 19910601 |
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