Bis(4-(glucopyranosyloxy)benzyl) 2-sec-butylmalate

CAS	58139-23-4
Structure
Synonyms	(2R)-2-Isobutyl-2-hydroxysuccinic acid bis[4-(β-D-glucopyranosyloxy)benzyl] ester
IUPAC Name	bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-hydroxy-2-(2-methylpropyl)butanedioate
Molecular Weight	726.73
Molecular Formula	C34H46O17
Canonical SMILES	CC(C)C[C@@](CC(=O)OCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C(=O)OCC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI	InChI=1S/C34H46O17/c1-17(2)11-34(45,33(44)47-16-19-5-9-21(10-6-19)49-32-30(43)28(41)26(39)23(14-36)51-32)12-24(37)46-15-18-3-7-20(8-4-18)48-31-29(42)27(40)25(38)22(13-35)50-31/h3-10,17,22-23,25-32,35-36,38-43,45H,11-16H2,1-2H3/t22-,23-,25-,26-,27+,28+,29-,30-,31-,32-,34-/m1/s1
InChI Key	GQNUDXCKVPLQBI-KIQVUASESA-N
Boiling Point	954.0±65.0 °C
Purity	98%
Density	1.470±0.06 g/ml
pKa	12.09±0.29
Appearance	Solid