Phenyl O-(2,3,4,6-Tetra-O-Benzyl-Glucopyranosyl)-1-4-O-(2,3,6-Tri-O-Benzylglucopyranosyl)-1-6-O-(2,3,4,6-Tetra-O-Acetylglucopyranosyl)-1-4-2,3-Di-O-Acetyl-1-Thioglucopyranoside
[CAS# 156625-63-7]

Identification

• Name: Phenyl O-(2,3,4,6-Tetra-O-Benzyl-Glucopyranosyl)-1-4-O-(2,3,6-Tri-O-Benzylglucopyranosyl)-1-6-O-(2,3,4,6-Tetra-O-Acetylglucopyranosyl)-1-4-2,3-Di-O-Acetyl-1-Thioglucopyranoside
• Synonyms: Phenyl Bzac4glu
• Molecular Formula: C₉₁H₁₀₀O₂₆S
• Molecular Weight: 1641.84
• CAS Registry Number: 156625-63-7
• SMILES: [C@@H]1(O[C@@H]([C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)O[C@@H]9[C@H](O[C@H](OC[C@@H]7[C@@H](O[C@H]6O[C@@H]([C@H]([C@H](OC(C)=O)[C@H]6OC(C)=O)OC(C)=O)COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O7)SC8=CC=CC=C8)[C@@H]([C@H]9OCC%10=CC=CC=C%10)OCC%11=CC=CC=C%11)COCC%12=CC=CC=C%12
• InChI: 1S/C91H100O26S/c1-58(92)100-56-74-78(107-59(2)93)82(108-60(3)94)86(110-62(5)96)90(114-74)117-79-75(115-91(118-71-45-29-14-30-46-71)87(111-63(6)97)83(79)109-61(4)95)57-106-88-84(104-52-69-41-25-12-26-42-69)81(103-51-68-39-23-11-24-40-68)77(73(112-88)55-99-48-65-33-17-8-18-34-65)116-89-85(105-53-70-43-27-13-28-44-70)80(102-50-67-37-21-10-22-38-67)76(101-49-66-35-19-9-20-36-66)72(113-89)54-98-47-64-31-15-7-16-32-64/h7-46,72-91H,47-57H2,1-6H3/t72-,73-,74-,75-,76-,77-,78-,79-,80+,81+,82+,83+,84-,85-,86-,87-,88+,89-,90-,91+/m1/s1
• InChIKey: PLBXMGMJZNADGZ-QCYLZKPCSA-N

Properties

• Density: 1.33g/cm³ (Cal.)