5346-81-6
BETA-D-GLUCOPYRANOSIDE, PHENYL 4-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-1-THIO-, 2,3,6-TRIACETATE
NameBETA-D-GLUCOPYRANOSIDE, PHENYL 4-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-1-THIO-, 2,3,6-TRIACETATE
1Identification
【Name】
BETA-D-GLUCOPYRANOSIDE, PHENYL 4-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-1-THIO-, 2,3,6-TRIACETATE
【CAS】
【MDL】
MFCD19980772
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C32 H40 O17 S
【pro_molWeight】
728.717
【Inchi】
InChI=1S/C32H40O17S/c1-15(33)40-13-23-25(42-17(3)35)27(43-18(4)36)29(45-20(6)38)31(47-23)49-26-24(14-41-16(2)34)48-32(50-22-11-9-8-10-12-22)30(46-21(7)39)28(26)44-19(5)37/h8-12,23-32H,13-14H2,1-7H3/t23-,24-,25-,26-,27+,28+,29-,30-,31-,32+/m1/s1
【InChIKey】
InChIKey=OJVHDCHVHOISBO-MMXCIQNPSA-N
【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)Sc3ccccc3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
【MOL File】
BETA-D-GLUCOPYRANOSI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:17
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BETA-D-GLUCOPYRANOSIDE, PHENYL 4-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-1-THIO-, 2,3,6-TRIACETATE.cml