AG00385Z

21085-72-3 | Methyl acetobromo-alpha-D-glucuronate

AG00385Z

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CAS Number	21085-72-3
Catalog Number	AG00385Z(AGN-PC-0QXLX8)
Chemical Name	Methyl acetobromo-alpha-D-glucuronate
EC Number	244-203-4
IUPAC Name	methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate
InChI	InChI=1S/C13H17BrO9/c1-5(15)20-8-9(21-6(2)16)11(13(18)19-4)23-12(14)10(8)22-7(3)17/h8-12H,1-4H3/t8-,9-,10+,11-,12-/m0/s1
InChI Key	GWTNLHGTLIBHHZ-SVNGYHJRSA-N
MDL Number	MFCD00061613
Molecular Formula	C13H17BrO9
Molecular Weight	397.1727
SMILES	O=C(OC)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Br)O1
Synonyms	21085-72-3, (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate, Acetobromo-alpha-D-glucuronic acid methyl ester, Methyl acetobromo-alpha-D-glucuronate, MFCD00061613, BROMOMETHYLTRIACETYL GLUCURONATE, Acetobromo-alpha-D-glucuronic acid, methyl ester, Bromo-2,3,4-tri-O-acetyl-alpha-D-glucopyranuronic acid methyl ester, Acetobromo-alpha-D-glucuronic acid methyl ester, 98%, GWTNLHGTLIBHHZ-SVNGYHJRSA-N, AK112687, zlchem 1315, AC1L3GHF, Methyl |A-Acetobromoglucuronate, SCHEMBL1696484, CTK8F7515, KS-00000GXO, BIA6200, OR6200T, ZLE0091, (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)-tetrahydro-2H-pyran-3,4,5-triyl triacetate, ZX-AFC000590, Methyl acetobromo-|A-D-glucuronate, ZINC5438220, ZX-AT019570, EINECS 244-203-4, AN-524, AKOS016010256, AB02441, AM84733, CS-W008125, GS-6021, AJ-54093, AX8014833, ST2407914, Acetobromo-|A-D-glucuronic acid methyl ester, Acetobromo-alpha-D-Glucoronic acid methyl ester, K-6076, Acetobromo-alpha-D-glucuronic acid methyl ester, >=93%, Methyl (Tri-O-acetyl-|A-D-glucopyranosyl Bromide)uronate, Methyl 2,3,4-tri-O-acetyl-?-D-glucopyranosyluronate bromide, Methyl tri-O-acetyl-1-bromo-1-deoxy-alpha-D-glucopyranuronate, 2,3,4-Tri-O-acetyl-1-bromo-1-deoxy-a-D-glucuronide methyl ester, Bromo-2,3,4-tri-O-acetyl-|A-D-glucopyranuronic acid methyl ester, Methyl 2,3,4-Tri-O-acetyl-1-bromo-1-deoxy-|A-D-glucopyranuranate, (2,3,4-Tri-O-acetyl-|A-D-glucopyranosyl bromide)uronic acid methyl ester, 1-Bromo-1-deoxy-2,3,4-triacetate |A-D-Glucopyranuronic Acid Methyl Ester, 1-Bromo-2,3,4-tri-O-acetyl-a-D-glucuronide methyl ester - 1% CaCO3, 6-O-Methyl-2-O,3-O,4-O-triacetyl-alpha-D-glucopyranuronosyl bromide, alpha-D-Glucopyranuronic acid, 1-bromo-1-deoxy-, methyl ester, triacetate, methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate, methyl 1-bromo-1-deoxy-2,3,4-tri-O-acetyl-alpha-D-glucopyranuronate, (2,3,4-Tri-O-acetyl-alpha-D-glucopyranosyl bromide)uronic acid methyl ester, methyl (2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-bromo-tetrahydropyran-2-carboxylate, methyl (2S,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-bromooxane-2-carboxylate, CID88785, AR-1L8577, ZINC06821694, ?-D-Glucopyranuronic acid, 1-bromo-1-deoxy-, methyl ester, triacetate, |A-d-glucopyranuronic acid, 1-bromo-1-deoxy-, methyl ester, triacetate, 1-Bromo-1-deoxy-2,3,4-tri-O-acetyl-alpha-D-glucuronic acid methyl ester, 95% - 1G 1g, 21617-15-2,

Complexity	492
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	396.006g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	397.174g/mol
Monoisotopic Mass	396.006g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	114A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H331-H410
Packing Group	Ⅲ
Precautionary statements	P261-P301+P312+P330-P304+P340+P312-P403+P233
Signal Words	danger
UN Code	UN 3077

Certificate of Analysis

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