CAS 55216-11-0 Trimethyl-β-cyclodextrin - Materials / Alfa Chemistry

NAVIGATION

Trimethyl-β-cyclodextrin

PRICE INQUIRY

Catalog Number

ACM55216110-3

CAS Number

55216-11-0

Product Name

Trimethyl-β-cyclodextrin

Category

Supramolecular Host Materials

IUPAC Name

(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane

Molecular Weight

1429.5g/mol

Molecular Formula

C63H112O35

Canonical SMILES

COCC1C2C(C(C(O1)OC3C(OC(C(C3OC)OC)OC4C(OC(C(C4OC)OC)OC5C(OC(C(C5OC)OC)OC6C(OC(C(C6OC)OC)OC7C(OC(C(C7OC)OC)OC8C(OC(O2)C(C8OC)OC)COC)COC)COC)COC)COC)COC)OC)OC

InChI

InChI=1S/C63H112O35/c1-64-22-29-36-43(71-8)50(78-15)57(85-29)93-37-30(23-65-2)87-59(52(80-17)44(37)72-9)95-39-32(25-67-4)89-61(54(82-19)46(39)74-11)97-41-34(27-69-6)91-63(56(84-21)48(41)76-13)98-42-35(28-70-7)90-62(55(83-20)49(42)77-14)96-40-33(26-68-5)88-60(53(81-18)47(40)75-12)94-38-31(24-66-3)86-58(92-36)51(79-16)45(38)73-10/h29-63H,22-28H2,1-21H3/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1

InChI Key

DSDAICPXUXPBCC-MWDJDSKUSA-N

Application

Trimethyl-β-cyclodextrin is utilized for its capacity to form complexes with various compounds, which enables detailed investigations using advanced analytical techniques. It is particularly valuable in examining the crystal structures of its complexes with compounds like m-iodophenol, 4-biphenylacetic acid, and both (R)- and (S)-flurbiprofen through X-ray analysis. Additionally, its potential as a drug delivery system, especially for ophthalmic applications, can be explored by forming complexes with vitamin A, which are then analyzed using high sensitivity fluorescence spectrometry and high pressure liquid chromatography (HPLC). Trimethyl-β-cyclodextrin also plays a significant role in determining the analyte composition of commercial samples, utilizing HPLC coupled with mass spectrometry (MS) for precise analysis.

Complexity

1800

Covalently-Bonded Unit Count

Exact Mass

1428.698415g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

2,3,6-tri-O-methyl-beta-cyclodextrin;heptakis (2,3,6-tri-O-methyl)-beta-cyclodextrin;heptakis (2,3,6-tri-O-methyl)beta cyclodexatrin;heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin;TOMBC;tri-O-methyl-beta-cyclodextrin

Monoisotopic Mass

1428.698415g/mol

Rotatable Bond Count

UNII

317745Y683

XLogP3

-3.7

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