1-Bromo-1-deoxy-2-O,3-O,4-O-triacetyl-α-D-glucopyranuronic acid methyl ester

CAS	21085-72-3
Structure
Synonyms	2,3,4-Trideoxy-2,3,4-triacetoxy-1-bromo-1-deoxy-α-D-glucopyranuronic acid methyl ester
IUPAC Name	Methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate
Molecular Weight	397.17
Molecular Formula	C13H17BrO9
Canonical SMILES	CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)Br)C(=O)OC)OC(=O)C
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
Boiling Point	388.6±42.0 °C
Melting Point	80-110 °C (lit.)
Purity	98%
Density	1.52 g/ml
Appearance	White to gray solid