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133040-32-1 | Uridine, 2'-deoxy-5-(3-methyl-5-isoxazolyl)-
CAS No: 133040-32-1 Catalog No: AG0011JL MDL No:
Product Description
Catalog Number:
AG0011JL
Chemical Name:
Uridine, 2'-deoxy-5-(3-methyl-5-isoxazolyl)-
CAS Number:
133040-32-1
Molecular Formula:
C13H15N3O6
Molecular Weight:
309.2747
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidine-2,4-dione
InChI:
InChI=1S/C13H15N3O6/c1-6-2-9(22-15-6)7-4-16(13(20)14-12(7)19)11-3-8(18)10(5-17)21-11/h2,4,8,10-11,17-18H,3,5H2,1H3,(H,14,19,20)/t8-,10+,11+/m0/s1
InChI Key:
GBLOVFDLOVVYPI-JMJZKYOTSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c2onc(c2)C)c(=O)[nH]c1=O
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
309.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.278g/mol
Monoisotopic Mass:
309.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of 5-heteroaryl-substituted 2'-deoxyuridines. | Journal of medicinal chemistry 19910601 |
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