28244-99-7
4-METHYLPHENYL 2,3,4,6-TETRA-O-ACETYL-BETA-D-THIOGALACTOPYRANOSIDE
Name4-METHYLPHENYL 2,3,4,6-TETRA-O-ACETYL-BETA-D-THIOGALACTOPYRANOSIDE
1Identification
【Name】
4-METHYLPHENYL 2,3,4,6-TETRA-O-ACETYL-BETA-D-THIOGALACTOPYRANOSIDE
【CAS】
【MDL】
MFCD09750783
【EnglishSynonyms】
【pro_formula】
C21 H26 O9 S
【pro_molWeight】
454.493
【Inchi】
InChI=1S/C21H26O9S/c1-11-6-8-16(9-7-11)31-21-20(29-15(5)25)19(28-14(4)24)18(27-13(3)23)17(30-21)10-26-12(2)22/h6-9,17-21H,10H2,1-5H3/t17-,18+,19+,20-,21+/m1/s1
【InChIKey】
InChIKey=XRFOIRMXQHXTRL-IFLJBQAJSA-N
【SMILES】
Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
【MOL File】
4-METHYLPHENYL 2,3,4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:9
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-METHYLPHENYL 2,3,4,6-TETRA-O-ACETYL-BETA-D-THIOGALACTOPYRANOSIDE.cml