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ChemicalBook--->CAS DataBase List--->122111-11-9

122111-11-9

122111-11-9 Structure

122111-11-9 Structure
IdentificationMore
[Name]

2-Deoxy-2,2-difluoro-D-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate
[CAS]

122111-11-9
[Synonyms]

2-deoxy-2,2-difluoro-d-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate
D-ERYTHRO-PENTOFURANOSE, 2-DEOXY-2,2-DIFLUORO-, 3,5-DIBENZOATE 1-METHANESULFONATE
2-DEXY-2,2-DIFLUORO-3,5-O-DIBENZOYLRIBOSE MESYLATE
2-Deoxy-2,2-difluoro-D-erythro-ribofuranose-3,5-dibenzoate 1-Methanesulfonate
[EINECS(EC#)]

685-280-8
[Molecular Formula]

C20H18F2O8S
[MDL Number]

MFCD08460089
[Molecular Weight]

456.41
[MOL File]

122111-11-9.mol
Chemical PropertiesBack Directory
[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)
Hazard InformationBack Directory
[Chemical Properties]

Brown Liquid
[Uses]

Gemcitabine intermediate
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