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ALPHA-THYMIDINE

CAS No.:
4449-43-8
Catalog Number:
AG00DEPR
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DEPR
Chemical Name:
ALPHA-THYMIDINE
CAS Number:
4449-43-8
MDL Number:
MFCD00069766
IUPAC Name:
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8-/m0/s1
InChI Key:
IQFYYKKMVGJFEH-RNJXMRFFSA-N
EC Number:
608-961-3
UNII:
YMX6U1R2W7
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
242.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
242.231g/mol
Monoisotopic Mass:
242.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
Human mitochondrial thymidine kinase is selectively inhibited by 3'-thiourea derivatives of beta-thymidine: identification of residues crucial for both inhibition and catalytic activity. Molecular pharmacology 20090501
Kinetic parameters and recognition of thymidine analogues with varying functional groups by thymidine phosphorylase. Bioorganic & medicinal chemistry 20080401
Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds. Journal of medicinal chemistry 19990826
Properties