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Merck
CN

B4682

Octakis (6-O-t-butyldimethylsilyl)-γ-cyclodextrin

>90%

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About This Item

Empirical Formula (Hill Notation):
C96H192O40Si8
Molecular Weight:
2211.21
UNSPSC Code:
12352201
PubChem Substance ID:
329773241
MDL number:
MFCD03452845

Key Documents

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InChI

1S/C96H192O40Si8/c1-89(2,3)137(25,26)113-41-49-73-57(97)65(105)81(121-49)130-74-50(42-114-138(27,28)90(4,5)6)123-83(67(107)59(74)99)132-76-52(44-116-140(31,32)92(10,11)12)125-85(69(109)61(76)101)134-78-54(46-118-142(35,36)94(16,17)18)127-87(71(111)63(78)103)136-80-56(48-120-144(39,40)96(22,23)24)128-88(72(112)64(80)104)135-79-55(47-119-143(37,38)95(19,20)21)126-86(70(110)62(79)102)133-77-53(45-117-141(33,34)93(13,14)15)124-84(68(108)60(77)100)131-75-51(43-115-139(29,30)91(7,8)9)122-82(129-73)66(106)58(75)98/h49-88,97-112H,41-48H2,1-40H3/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-/m1/s1

SMILES string

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO[Si](C)(C)C(C)(C)C)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[Si](C)(C)C(C)(C)C)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO[Si](C)(C)C(C)(C)C)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO[Si](C)(C)C(C)(C)C)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO[Si](C)(C)C(C)(C)C)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CO[Si](C)(C)C(C)(C)C)O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@@H]9CO[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H]2O

InChI key

MKSDSPVSZRMRNY-YKBAZCJNSA-N

assay

>90%

form

solid

technique(s)

electrophoresis: suitable

mp

>260 °C

application(s)

detection

storage temp.

2-8°C

Application

Octakis (6-O-t-butyldimethylsilyl)-γ-cyclodextrin or DIACTGCD was used to determine the enantio-discrimination of mono-substituted styrene oxides.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
011M1471
121K1685
023K0958

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Natthapol Issaraseriruk et al.
Journal of molecular graphics & modelling, 28(6), 506-512 (2009-12-29)
A molecular docking study, using molecular mechanics calculations with AutoDock and semi-empirical PM3 calculations, was used to help predict the enantiodiscrimination of mono-substituted styrene oxides by octakis(2,3-di-O-acetyl-6-O-tert-butyldimethylsilyl)-gamma-cyclodextrin (DIACTGCD), through the differences in the interaction energies and inclusion geometries. The small

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