alpha-CYCLODEXTRIN
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
Molecular Identity
alpha-CYCLODEXTRIN
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
PubChem CID: 444913
Alpha-cyclodextrin is a cycloamylose composed of six alpha-(14) linked D-glucopyranose units.
2D Structure
Properties
C36H60O30
Molecular Formula
972.80
Molecular Weight
g/mol
972.3169
Exact Mass
Da
-12.9
XLogP
Drug-like (Lipinski: < 5)
475
TPSA
May have limited oral absorption
18
H-Bond Donors
30
H-Bond Acceptors
1250
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
alpha-CYCLODEXTRIN10016-20-3AlfadexCyclomaltohexaosealpha-DextrinCyclomaltohexoseCyclohexaamylosealpha-Cycloamylosealpha cyclodextrinAlfadexumDextrin, alpha-cycloOristar acdRingdex-aCavamax w6Cavamax w 6 food
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to alpha-CYCLODEXTRIN
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