138916-58-2

Name (E)-N-[2-(β-D-Glucopyranosyloxy)ethyl]-3-methylthiopropenamide
CAS 138916-58-2
Molecular Formula C12H21NO7S
MDL Number MFCD32899228
Molecular Weight 323.36
MOL File 138916-58-2.mol
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Chemical Properties

Boiling point  627.7±55.0 °C(Predicted)
density  1.43±0.1 g/cm3(Predicted)
form  Solid
pka 12.90±0.70(Predicted)
color  White to off-white
InChI InChI=1/C12H21NO7S/c1-21-5-2-8(15)13-3-4-19-12-11(18)10(17)9(16)7(6-14)20-12/h2,5,7,9-12,14,16-18H,3-4,6H2,1H3,(H,13,15)/b5-2+/t7-,9-,10+,11-,12-/s3
InChIKey FISKBHZVUFLWDZ-HTPQTQPSNA-N
SMILES O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)CCNC(=O)/C=C/SC |&1:1,2,3,5,7,r|

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