AG001GIZ

14152-97-7 | β-​D-​Glucopyranosyl isothiocyanate, 2,​3,​4,​6-​tetraacetate

AG001GIZ

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CAS Number	14152-97-7
Catalog Number	AG001GIZ(AGN-PC-0PQXVJ)
Chemical Name	β-​D-​Glucopyranosyl isothiocyanate, 2,​3,​4,​6-​tetraacetate
IUPAC Name	[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate
InChI	InChI=1S/C15H19NO9S/c1-7(17)21-5-11-12(22-8(2)18)13(23-9(3)19)14(24-10(4)20)15(25-11)16-6-26/h11-15H,5H2,1-4H3/t11-,12-,13+,14-,15-/m1/s1
InChI Key	WOWNQYXIQWQJRJ-UXXRCYHCSA-N
MDL Number	MFCD00043085
Molecular Formula	C15H19NO9S
Molecular Weight	389.3777
SMILES	O(C(=O)C)[C@H]1[C@H](OC(=O)C)[C@@H](COC(=O)C)O[C@H]([C@@H]1OC(=O)C)N=C=S
Synonyms	2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate, 2,3,4,6-tetra-O-acetylglucopyranosylisothiocyanate, 2,3,4,6-tetra-O-acetylglucopyranosylisothiocyanate, (D)-isomer, GITC, TAGIT, 14152-97-7, GITC, TAGIT, 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate, 2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyl isothiocyanate, [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-isothiocyanato-tetrahydropyran-2-yl]methyl acetate, (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3,4,5-triyl triacetate, NSC 224452, AC1L40WV, AC1Q7EW3, 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate, SCHEMBL1357029, WOWNQYXIQWQJRJ-UXXRCYHCSA-N, ZINC5224446, MFCD00043085, AKOS015898494, AN-7668, MCULE-8946675301, SC-92862, FT-0772450, K-4543, 152T977, I09-3060, Tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate, W-200114, 2,3,4,6-tetra-o-acetyl--d-glucopyranosyl isothiocyanate, b-D-Glucopyranosyl isothiocyanate,2,3,4,6-tetraacetate, 2,3,4,6-Tetra-O-acetyl-|A-D-glucopyranosyl isothiocyanate, 2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL ISOTH, 2,3,4,6-Tetra-O-acetyl-ss-D-glucopyranosyl isothiocyanate, 2,3,4,6-Tetra-O-acetyl-.beta.-D-glucopyranosyl isothiocyanate, 2,3,4,6-TETRA-O-ACETYL-b-D-GLUCOPYRANOSylisoTHIOCYANATE, [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate, 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate, for chiral derivatization, >=98.0% (HPLC), C15H19NO9S, CID99462, C15-H19-N-O9-S, AR-1L5827, A5514, beta-D-Glucopyranosyl isothiocyanate, 2,3,4,6-tetraacetate, 14313-90-7,

Complexity	616
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	389.078g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	389.375g/mol
Monoisotopic Mass	389.078g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	159A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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