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1-S-Octyl-beta-D-thioglucopyranoside	Predict NMR spectrum	RN:  85618-21-9 MF:  C14H28O5S MW:  308.43332
InChI:  1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1 InChIKey:  CGVLVOOFCGWBCS-RGDJUOJXSA-N	H donor:  4 H acceptor:  5 Rotatable bond:  9 Stereocenter:  5	cLogP:  2.242 cLogS:  -2.3 Polar surface:  115.45
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