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133040-30-9 | Uridine, 5-[3-(4-chlorophenyl)-5-isoxazolyl]-2'-deoxy- (9CI)
CAS No: 133040-30-9 Catalog No: AG0011JN MDL No:
Product Description
Catalog Number:
AG0011JN
Chemical Name:
Uridine, 5-[3-(4-chlorophenyl)-5-isoxazolyl]-2'-deoxy- (9CI)
CAS Number:
133040-30-9
Molecular Formula:
C18H16ClN3O6
Molecular Weight:
405.7891
IUPAC Name:
5-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C18H16ClN3O6/c19-10-3-1-9(2-4-10)12-5-14(28-21-12)11-7-22(18(26)20-17(11)25)16-6-13(24)15(8-23)27-16/h1-5,7,13,15-16,23-24H,6,8H2,(H,20,25,26)/t13-,15+,16+/m0/s1
InChI Key:
RDWMBXVEAYEJBQ-NUEKZKHPSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c2onc(c2)c2ccc(cc2)Cl)c(=O)[nH]c1=O
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
405.073g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
405.791g/mol
Monoisotopic Mass:
405.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of 5-heteroaryl-substituted 2'-deoxyuridines. | Journal of medicinal chemistry 19910601 |
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