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β-Cyclodextrin, 2-hydroxyethyl ethers

CAT: 0804-HY-153124-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-153124-01Size:1 g
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Description
β-Cyclodextrin, 2-hydroxyethyl ethers is a biochemical reagent.
CAS Number
128446-32-2
UNSPSC
12352200
Hazard Statement
H302-H315-H319
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/β-cyclodextrin-2-hydroxyethyl-ethers.html
Solubility
10 mM in DMSO
Smiles
[b-Cyclodextrin,2-hydroxyethylethers]
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

beta-Cyclodextrin, 2-hydroxyethyl ethers
CAS Number128446-32-2
PubChem CID171666268
IUPAC Name(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30S,31S,33R,35R,36R,37S,38R,39S,40R,41S,42R,43S,44R,45S,46R,47S,48R,49S)-37,39,41,43,45,47,49-heptakis(2-hydroxyethoxy)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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-36,38,40,42,44,46,48-heptol
Molecular FormulaC56H98O42
Molecular Weight1443.3
XLogP-16.1
Topological Polar Surface Area619
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count42
Rotatable Bond Count28
Heavy Atom Count98
Formal Charge0
Complexity1800
SMILES
C(CO[C@H]1[C@@H]([C@H]2[C@H](O[C@@H]1O[C@@H]3[C@H](O[C@@H]([C@H]([C@@H]3O)OCCO)O[C@@H]4[C@H](O[C@@H]([C@H]([C@@H]4O)OCCO)O[C@@H]5[C@H](O[C@@H]([C@H]([C@@H]5O)OCCO)O[C@@H]6[C@@H](O[C@@H]([C@H]([C@@H]6O)OCCO)O[C@@H]7[C@H](O[C@@H]([C@H]([C@@H]7O)OCCO)O[C@@H]8[C@H](O[C@H](O2)[C@H]([C@@H]8O)OCCO)CO)CO)CO)CO)CO)CO)CO)O)O
InChI
InChI=1S/C56H98O42/c57-1-8-78-43-29(71)36-22(15-64)85-50(43)92-37-23(16-65)86-52(44(30(37)72)79-9-2-58)94-39-25(18-67)88-54(46(32(39)74)81-11-4-60)96-41-27(20-69)90-56(48(34(41)76)83-13-6-62)98-42-28(21-70)91-55(49(35(42)77)84-14-7-63)97-40-26(19-68)89-53(47(33(40)75)82-12-5-61)95-38-24(17-66)87-51(93-36)45(31(38)73)80-10-3-59/h22-77H,1-21H2/t22-,23-,24-,25-,26-,27-,28+,29-,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-/m1/s1
InChIKey
PCWPQSDFNIFUPO-KCVBUHIQSA-N
Chemical Structure
2D Structure
2D structure of beta-Cyclodextrin, 2-hydroxyethyl ethers
CAS: 128446-32-2
CID: 171666268
Formula: C56H98O42
MW: 1443.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1443.3
XLogP3-16.1
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count42
Rotatable Bond Count28
Exact Mass1442.5532671
Monoisotopic Mass1442.5532671
Topological Polar Surface Area619 Ų
Heavy Atom Count98
Formal Charge0
Complexity1800
Isotope Atom Count0
Defined Atom Stereocenter Count35
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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