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126862-95-1 | Thymidine, 3'-thio-
CAS No: 126862-95-1 Catalog No: AG000TE5 MDL No:
Product Description
Catalog Number:
AG000TE5
Chemical Name:
Thymidine, 3'-thio-
CAS Number:
126862-95-1
Molecular Formula:
C10H14N2O4S
Molecular Weight:
258.2942
IUPAC Name:
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)14)8-2-7(17)6(4-13)16-8/h3,6-8,13,17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8-/m1/s1
InChI Key:
LNRCBWCMVHSMBJ-GJMOJQLCSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1S)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
258.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.292g/mol
Monoisotopic Mass:
258.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Kinetic parameters and recognition of thymidine analogues with varying functional groups by thymidine phosphorylase. | Bioorganic & medicinal chemistry 20080401 |
| Deoxyribonucleoside 2'- or 3'-mixed disulfides: prodrugs to target ribonucleotide reductase and/or to inhibit HIV reverse transcription. | Journal of medicinal chemistry 20030619 |
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