Basic information
- CAS
156510-98-4- 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]%11[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]%11CO)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
HUKYUKIIXNZRBF-HZKYAONISA-N- Molecular formula
- C60H100O50
- Average molar mass
- 1,621.4 g/mol
- Monoisotopic mass
- 1,620.5282342
Names & identifiers
- Preferred name
- Epsilon-cyclodextrin
- IUPAC
- (1R,3S,4R,6R,8S,9R,11R,13S,14R,16R,18S,19R,21R,23S,24R,26R,28S,29R,31R,33S,34R,36R,38S,39R,41R,43S,44R,46R,48S,49R,51R,52R,53R,54R,55R,56R,57R,58R,59R,60R,61R,62R,63R,64R,65R,66R,67R,68R,69R,70R)-4,9,14,19,24,29,34,39,44,49-decakis(hydroxymethyl)-2,5,7,10,12,15,17,20,22,25,27,30,32,35,37,40,42,45,47,50-icosaoxaundecacyclo[46.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36.238,41.243,46]heptacontane-51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70-icosol
- English name
- Cyclodecaamylose
- Molecular formula
- C60H100O50
- Molecular weight
- 1621.406
Names & synonyms
Epsilon-cyclodextrin156510-98-4CyclomaltodecaoseCyclodecaamyloseCD10SCHEMBL30967443OC74846
Database identifiers
- CAS
156510-98-4- PubChem CID
- 177974
- Nikkaji
- J1.688.484G
Properties
Computed structural properties
- XLogP
- -21.5
- Topological polar surface area
- 792 Ų
- Hydrogen bond donors
- 30
- Hydrogen bond acceptors
- 50
- Rotatable bonds
- 10
- Heavy atoms
- 110
- Formal charge
- 0
- Complexity
- 2,210
Physicochemical properties
- Density
- 1.624 · 1.624±0.06 g/cm3(Predicted)
- pka
- 11.61 · 11.61±0.70(Predicted)
Chemistry & industry
Suppliers1 total
BOC Sciences16314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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