5987-73-5

Name 2,3,5-TRI-O-ACETYL-6-CHLOROPURINE-9-?-D-RIBOFURANOSIDE
CAS 5987-73-5
Molecular Formula C16H17ClN4O7
MDL Number MFCD09841351
Molecular Weight 412.782
MOL File 5987-73-5.mol

Chemical Properties

Appearance Colourless Crystalline Powder
Melting point  161-162°C
Boiling point  560.9±60.0 °C(Predicted)
density  1.62±0.1 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  Chloroform, Methanol (Sparingly)
form  Oil
pka 0.76±0.10(Predicted)
color  Light Yellow
Optical Rotation -19.23°(C=1.00g/100mL, MEOH, 589nm)
InChI InChI=1/C16H17ClN4O7/c1-7(22)25-4-10-12(26-8(2)23)13(27-9(3)24)16(28-10)21-6-20-11-14(17)18-5-19-15(11)21/h5-6,10,12-13,16H,4H2,1-3H3/t10-,12-,13-,16-/s3
InChIKey INOTYVPMBNDAFK-UARIJUISNA-N
SMILES O1[C@@H](N2C3C(=C(Cl)N=CN=3)N=C2)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1COC(C)=O |&1:1,12,17,22,r|

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