AG00G347

81058-27-7 | 2,3,4,6-Tetra-O-pivaloyl-alpha-D-glucopyranosyl Bromide

AG00G347

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CAS Number	81058-27-7
Catalog Number	AG00G347(AGN-PC-0UIN1Z)
Chemical Name	2,3,4,6-Tetra-O-pivaloyl-alpha-D-glucopyranosyl Bromide
IUPAC Name	[(2R,3R,4S,5R,6R)-6-bromo-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
InChI	InChI=1S/C26H43BrO9/c1-23(2,3)19(28)32-13-14-15(34-20(29)24(4,5)6)16(35-21(30)25(7,8)9)17(18(27)33-14)36-22(31)26(10,11)12/h14-18H,13H2,1-12H3/t14-,15-,16+,17-,18+/m1/s1
InChI Key	BSDBCYHGMPHOAL-SFFUCWETSA-N
MDL Number	MFCD08275217
Molecular Formula	C26H43BrO9
Molecular Weight	579.5182
SMILES	CC(C)(C)C(OC[C@@H]1[C@@H](OC(C(C)(C)C)=O)[C@H](OC(C(C)(C)C)=O)[C@@H](OC(C(C)(C)C)=O)[C@@H](Br)O1)=O
Synonyms	81058-27-7, 2,3,4,6-Tetra-O-pivaloyl-alpha-D-glucopyranosyl bromide, (2R,3R,4S,5R,6R)-2-Bromo-6-((pivaloyloxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate), tetra-o-pivaloyl-alpha-d-glucopyranosyl bromide, (2R,3R,4S,5R,6R)-2-bromo-6-(pivaloyloxymethyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate), BSDBCYHGMPHOAL-SFFUCWETSA-N, 2,3,4,6-Tetra-O-pivaloyl-|A-D-glucopyranosyl bromide, C26H43BrO9, SCHEMBL1039837, BIT1007, ZX-AFC000617, KM2058, MFCD08275217, AKOS024462364, ZINC100057578, ACN-051101, AC-26309, AK162394, BC230446, SC-91129, AX8064934, ST24033999, W0114, 027T522, 2,3,4,6-tetra-o-pivaloyl-a-d-glucopyranosyl bromide, 2,3,4,6-tetra-O-pivaloyl-alpha-D-gluco-pyranosyl bromide, 2,3,4,6-TETRA-O-PIVALOYL-ALPHA-D-GLUCOPYRANOSYL BR, 1-Bromo-1-deoxy-alpha-D-glucopyranose 2,3,4,6-tetrapivalate, 2,3,4,6-Tetra-O-pivaloyl-alpha-D-glucopyranosyl bromide, >=90% (TLC), Tetra-O-pivaloyl-|A inverted exclamation mark-D-glucopyranosyl bromide, 2,3,4,6-Tetra-O-pivaloyl-a-D-glucopyranosyl bromide - stabilised with CaCO3, Not Available, CID10886360, CID 11767027, EC 686-241-8, 2,3,4,6-Tetra-O-pivaloy-D-glucopyranosyl bromide, 2,3,4,6-TETRAKIS-O-(2,2-DIMETHYLPROPANOYL)-ALPHA-D-GLUCOPYRANOSYL BROMIDE, 98027-52-2,

Complexity	824
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	578.209g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	579.525g/mol
Monoisotopic Mass	578.209g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	114A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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