D-alpha-Heptaacetobromocellobiose

CAS	14227-66-8
Structure
Synonyms	2,2',3,3',4',6,6'-Hepta-O-acetyl-α-D-cellobiosyl bromide
IUPAC Name	[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromooxan-3-yl]oxyoxan-2-yl]methyl acetate
Molecular Weight	699.45
Molecular Formula	C26H35BrO17
Canonical SMILES	CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)Br)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI	InChI=1S/C26H35BrO17/c1-10(28)35-8-17-20(21(38-13(4)31)23(25(27)42-17)40-15(6)33)44-26-24(41-16(7)34)22(39-14(5)32)19(37-12(3)30)18(43-26)9-36-11(2)29/h17-26H,8-9H2,1-7H3/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+/m1/s1
InChI Key	NLFHLQWXGDPOME-VRECAULFSA-N
Melting Point	180-190 °C
Purity	98%
Appearance	White to off-white powder