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9-(4-Acetoxy-3-acetoxymethylbutyl)-2-amino-6-chloropurine Structure

9-(4-Acetoxy-3-acetoxymethylbutyl)-2-amino-6-chloropurine

Chemical Properties

Melting point 132-134 °C(Solv: isopropanol (67-63-0))
Boiling point 575.0±60.0 °C(Predicted)
Density  1.49±0.1 g/cm3(Predicted)
vapor pressure  0Pa at 25℃
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 2.23±0.10(Predicted)
color  Off-White to Light Yellow
Major Application pharmaceutical small molecule
InChI InChI=1S/C14H18ClN5O4/c1-8(21)23-5-10(6-24-9(2)22)3-4-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,10H,3-6H2,1-2H3,(H2,16,18,19)
InChIKey KXPSHSVVYGZKAV-UHFFFAOYSA-N
SMILES C(OC(=O)C)C(CCN1C2C(N=C1)=C(Cl)N=C(N)N=2)COC(=O)C
LogP 0.92 at 25℃ and pH9.1
CAS DataBase Reference 97845-60-8(CAS DataBase Reference)

Usage And Synthesis

9-(4-Acetoxy-3-acetoxymethylbutyl)-2-amino-6-chloropurine Supplier