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3'-Acetylthymidine

CAS No.:
21090-30-2
Catalog Number:
AG002L27
Molecular Formula:
C12H16N2O6
Molecular Weight:
284.2652
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 98% (HPLC)
1 week
United States
$96
- +
1g
≥ 98% (HPLC)
1 week
United States
$257
- +
5g
≥ 98% (HPLC)
1 week
United States
$813
- +
Product Description
Catalog Number:
AG002L27
Chemical Name:
3'-Acetylthymidine
CAS Number:
21090-30-2
Molecular Formula:
C12H16N2O6
Molecular Weight:
284.2652
MDL Number:
MFCD00056059
IUPAC Name:
[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
InChI:
InChI=1S/C12H16N2O6/c1-6-4-14(12(18)13-11(6)17)10-3-8(19-7(2)16)9(5-15)20-10/h4,8-10,15H,3,5H2,1-2H3,(H,13,17,18)/t8-,9+,10+/m0/s1
InChI Key:
IRFKBRPHBYCMQU-IVZWLZJFSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1OC(=O)C)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
475  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
284.101g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.268g/mol
Monoisotopic Mass:
284.101g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
Exploring the potential of 3'-O-carboxy esters of thymidine as inhibitors of ribonuclease A and angiogenin. Bioorganic & medicinal chemistry 20080315
Nucleoside analogues previously found to be inactive against HIV may be activated by simple chemical phosphorylation. FEBS letters 19930517
Properties