AG002O2M

23661-28-1 | β-D-Glucopyranoside, phenyl 1-thio-, 2,3,4,6-tetraacetate

AG002O2M

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CAS Number	23661-28-1
Catalog Number	AG002O2M(AGN-PC-0QZSX6)
Chemical Name	β-D-Glucopyranoside, phenyl 1-thio-, 2,3,4,6-tetraacetate
IUPAC Name	[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetate
InChI	InChI=1S/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17-,18+,19-,20+/m1/s1
InChI Key	JCKOUAWEMPKIAT-OBKDMQGPSA-N
MDL Number	MFCD00135159
Molecular Formula	C20H24O9S
Molecular Weight	440.4642
SMILES	O=C(OC[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](SC2=CC=CC=C2)O1)C
Synonyms	23661-28-1, (2R,3R,4S,5R,6S)-2-(Acetoxymethyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triyl triacetate, Phenyl 2,3,4,6-tetra-O-acetyl-b-D-thioglucopyranoside, Phenyl 2,3,4,6-Tetra-O-acetyl-1-thio-beta-D-glucopyranoside, JCKOUAWEMPKIAT-OBKDMQGPSA-N, AC1O4CBQ, SCHEMBL1029421, KS-00000GWM, ZINC8647943, CCG-43968, AKOS015897092, DS-9915, MCULE-3899005349, FT-0638347, P1476, 10.14272/JCKOUAWEMPKIAT-OBKDMQGPSA-N, 1-Phenyl-1-thio-|A-D-glucopyranoside tetraacetate, doi:10.14272/JCKOUAWEMPKIAT-OBKDMQGPSA-N, I07-357, S-phenyl-1-thio-beta-D-glucopyranoside tetracetate, SR-01000633841-1, W-201993, 1-(Phenylthio)-1-deoxy-beta-D-glucopyranose tetraacetate, 1-Phenyl-1-thio-beta-D-glucopyranoside tetraacetate, 97%, beta-D-Glucopyranoside, phenyl 1-thio-, 2,3,4,6-tetraacetate, Phenyl 2,3,4,6-tetra-o-acetyl-1-thio-beta-Dglucopyranoside, [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetate, NSC129250, CID6364823, .beta.-D-Glucopyranoside, phenyl 1-thio-, tetraacetate, Phenyl 2,3,4,6-tetra-O-acetyl-Beta-D-thioglucopyranoside, PHENYL2,3,4,6-TETRA-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSIDE,

Complexity	632
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	440.114g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	440.463g/mol
Monoisotopic Mass	440.114g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	140A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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