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89647-09-6 | Uridine, 2'-deoxy-5-(3-thienyl)-
CAS No: 89647-09-6 Catalog No: AG003VVG MDL No:
Product Description
Catalog Number:
AG003VVG
Chemical Name:
Uridine, 2'-deoxy-5-(3-thienyl)-
CAS Number:
89647-09-6
Molecular Formula:
C13H14N2O5S
Molecular Weight:
310.3257
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-thiophen-3-ylpyrimidine-2,4-dione
InChI:
InChI=1S/C13H14N2O5S/c16-5-10-9(17)3-11(20-10)15-4-8(7-1-2-21-6-7)12(18)14-13(15)19/h1-2,4,6,9-11,16-17H,3,5H2,(H,14,18,19)/t9-,10+,11+/m0/s1
InChI Key:
PUZHIJNFHYHTSN-HBNTYKKESA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c2cscc2)c(=O)[nH]c1=O
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
310.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.324g/mol
Monoisotopic Mass:
310.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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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