AG00DA5O

52645-73-5 | Ethyl 2,3,4,6-tetra-o-acetyl-alpha-d-thioglucopyranoside

AG00DA5O

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CAS Number	52645-73-5
Catalog Number	AG00DA5O(AGN-PC-0SD8BC)
Chemical Name	Ethyl 2,3,4,6-tetra-o-acetyl-alpha-d-thioglucopyranoside
IUPAC Name	(3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl)methyl acetate
InChI	InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3
InChI Key	YPNFVZQPWZMHIF-UHFFFAOYSA-N
MDL Number	MFCD04114310
Molecular Formula	C16H24O9S
Molecular Weight	392.4214
NSC Number	43886
SMILES	O=C(OC[C@@H](O1)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1SCC)C
Synonyms	52645-73-5, 126187-25-5, 41670-79-5, (2R,3R,4S,5R,6S)-2-(Acetoxymethyl)-6-(ethylthio)tetrahydro-2H-pyran-3,4,5-triyl triacetate, Ethyl 2,3,4,6-tetra-O-acetyl-alpha-D-thioglucopyranoside, (3,4,5-triacetyloxy-6-ethylsulfanyl-oxan-2-yl)methyl ethanoate, acetic acid [3,4,5-triacetyloxy-6-(ethylthio)-2-oxanyl]methyl ester, NSC43886, Ethyl 2,3,4,6-tetra-O-acetyl-a-D-thioglucopyranoside, AC1L62ER, Ethyl 2,3,4,6-Tetra-O-acetyl-|A-D-thiogalactopyranoside, Ethyl 2,3,4,6-Tetra-O-acetyl-alpha-D-thiogalactopyranoside, SCHEMBL12083331, CTK8E8199, O-Acetyl-ethyl-thio-D-glucopyranose, NSC-43886, AN-40978, RT-012529, FT-0654347, A805526, A825626, A829183, A830773, S07-0074, S07-0075, S07-0076, S07-0077, Ethyl 2,3,4,6-Tetra-O-acetyl- -D-thioglucopyranoside, (3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl)methyl acetate, (3,4,5-triacetoxy-6-ethylsulfanyl-tetrahydropyran-2-yl)methyl acetate, [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methyl acetate, [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methyl acetate, [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methyl acetate, [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methyl acetate, Not Available, CID239090, .beta.-D-Glucopyranoside, tetraacetate, Ethyl 2,3,4,6-tetra-O-acetyl-1-thio-b-D-galactopyranoside, 55722-49-1, .beta.-D-Glucopyranoside, ethyl 1-thio-, tetraacetate, Ethly 2,3,4,6-tetra-O-acetyl-a-D-thiogalactopyranoside, (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(ethylthio)tetrahydro-2H-pyran-3,4,5-triyl triacetate,

Complexity	536
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	392.114g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	392.419g/mol
Monoisotopic Mass	392.114g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	140A^2
Undefined Atom Stereocenter Count	5
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

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