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122111-11-9

Name 2-Deoxy-2,2-difluoro-D-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate
CAS 122111-11-9
EINECS(EC#) 685-280-8
Molecular Formula C20H18F2O8S
MDL Number MFCD08460089
Molecular Weight 456.41
MOL File 122111-11-9.mol
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Chemical Properties

Appearance Brown Liquid
Melting point  66-74°C
Boiling point  588.4±50.0 °C(Predicted)
density  1.46±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform, Methanol
form  Solid
color  Off-White to Pale Yellow
Usage Gemcitabine intermediate
InChI InChI=1S/C20H18F2O8S/c1-31(25,26)30-19-20(21,22)16(29-18(24)14-10-6-3-7-11-14)15(28-19)12-27-17(23)13-8-4-2-5-9-13/h2-11,15-16,19H,12H2,1H3/t15-,16-,19?/m1/s1
InChIKey LIAQHZDWFACWFK-QNRNLVPOSA-N
SMILES C1(OS(C)(=O)=O)O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)C1(F)F
CAS DataBase Reference 122111-11-9(CAS DataBase Reference)

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