AG00IDQ2

85618-21-9 | B-D-GLUCOPYRANOSIDE, OCTYL 1-THIO-

AG00IDQ2

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CAS Number	85618-21-9
Catalog Number	AG00IDQ2(AGN-PC-0V1H6Q)
Chemical Name	B-D-GLUCOPYRANOSIDE, OCTYL 1-THIO-
EC Number	617-729-0
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
InChI	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
InChI Key	CGVLVOOFCGWBCS-RGDJUOJXSA-N
MDL Number	MFCD00012189
Molecular Formula	C14H28O5S
Molecular Weight	308.4341
SMILES	O[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@@H]1SCCCCCCCC
Synonyms	Glc-S-C7-Me, n-octyl-beta-D-thioglucopyranoside, n-octyl-beta-D-thioglucoside, octyl beta-D-thioglucoside, octyl-thioglucoside, octylthioglucoside, n-octyl-beta-D-thioglucopyranoside, Octyl thioglucoside, 85618-21-9, N-Octyl-beta-D-thioglucoside, (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(octylthio)tetrahydro-2H-pyran-3,4,5-triol, Octylthioglucoside, 1-s-octyl-beta-d-thioglucopyranoside, octyl b-d-thioglucopyranoside, 2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL, MFCD00012189, OCTYL-beta-D-THIOGLUCOPYRANOSIDE, 1-S-OCTYL-BETA-D-THIOGLUCOSIDE, Octyl-thioglucoside, SOG, n-octylthioglucoside, octylthioglucopyranoside, AC1LCVOT, n-octyl-1-thio-beta-d-glc, octyl beta-thioglucopyranoside, octyl-beta-d-thioglucopyranose, SCHEMBL151041, Octyl-|A-D-thioglucopyranoside, BIMB1375, (2R,3S,5R,6S)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol, ZX-AFC000653, octyl-beta-d-1-thioglucopyranoside, ZINC6845558, octyl 1-thio-beta-D-glucopyranoside, GC7634, KM2337, AKOS017343238, n-octyl-1-thio-beta-d-glucopyranoside, DB08558, AK-48035, ST24034034, W0605, Octyl beta-D-1-thioglucopyranoside, >=99% (TLC), Octyl beta-D-1-thioglucopyranoside, >=98.0% (GC), (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(octylsulfanyl)oxane-3,4,5-triol, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol, 3,4-Diacetoxyphenylacetic acid, octyl beta-d-thioglucopyranoside, C14H28O5S, C14-H28-O5-S, CID656909, ACN-036859, NSC 628324, .beta.-D-Glucopyranoside, octyl 1-thio-,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	308.166g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	308.433g/mol
Monoisotopic Mass	308.166g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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