GlyTouCan:G73569DZ
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Basic information
- CAS
85220-53-7- Standard SMILES
OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO- InChIKey
UXRSQEDGDSCMFT-MIOCUFQXSA-N- Molecular formula
- C54H90O45
- Average molar mass
- 1,459.3 g/mol
Names & identifiers
- Preferred name
- GlyTouCan:G73569DZ
- IUPAC
- (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41S,43R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R,57R,58R,59R,60R,61R,62R,63R)-5,10,15,20,25,30,35,40,45-nonakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39,42,44-octadecaoxadecacyclo[41.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36.238,41]trihexacontane-46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63-octadecol
- English name
- Cyclodextrin
- Molecular formula
- C54H90O45
- Molecular weight
- 1459.27
Names & synonyms
RefChem:751166GlyTouCan:G73569DZG73569DZdelta-Cyclodextrin85220-53-7SCHEMBL29369896Cyclodextrinδ-CyclodextrinDi-O-methyl-βTIANFU-CHEM CYCLODEXTRINHeptakis(2,3-dimethyl)-βHeptakis(2,3-di-O-acetyl)-βHeptakis(6-bromo-6-deoxy)-βOctakis-(6-bromo-6-deoxy)-γHeptakis-(6-O-tert-butyldimethylsilyl)-β6A,6B,6C,6D,6E,6F,6G-Heptakis-O-(2-hydroxypropyl)-&beta
Database identifiers
- CAS
85220-53-7- Nikkaji
- J1.402.198A
Properties
Computed structural propertiesFilling in
- XLogP
- -19.3
- Topological polar surface area
- 712 Ų
- Hydrogen bond donors
- 27
- Hydrogen bond acceptors
- 45
- Rotatable bonds
- 9
- Heavy atoms
- 99
- Formal charge
- 0
- Complexity
- 1,960
Physicochemical properties
- Density
- 1.624 · 1.624±0.06 g/cm3(Predicted)
- pka
- 11 · 11+-.0.70(Predicted)
- Cosmetic Ingredient Review (CIR)
- CYCLODEXTRIN (85220-53-7)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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