<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-27 01:51:54 UTC</creation_date>
  <update_date>2026-08-22 11:58:28 UTC</update_date>
  <accession/>
  <common_name>Alpha-Cyclodextrin</common_name>
  <class>SmallMolecule</class>
  <description>Alpha-Cyclodextrin is a chemical compound with the formula C36H60O30. Alpha-Cyclodextrin belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 972.85 g/mol, Alpha-Cyclodextrin is a heavy molecule.

This substance is found in or released from 10 recorded sources across several categories. Within food, food processing, and cookware, it is associated with the processing of meats and fish, as well as the preparation of wort, vinegar, and wine or sparkling wine, among one other source. In the realm of electrical and electronic equipment, the compound is linked to magnets and antennas. Additionally, Alpha-Cyclodextrin is found in building and construction materials, specifically floors, and in household cleaning and consumer products, where it is recorded in tobacco product cases.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(c6,1-4)GLC-(1-4)GLC-(1-4)GLC-(1-4)GLC-(1-4)GLC-(1-4)GLC</synonym>
    <synonym>(c6,4-1)GLC-(4-1)GLC-(4-1)GLC-(4-1)GLC-(4-1)GLC-(4-1)GLC</synonym>
    <synonym>.alpha.-Cycloamylose</synonym>
    <synonym>.alpha.-Cyclodextrin</synonym>
    <synonym>.alpha.-Dextrin</synonym>
    <synonym>.alpha.-Schardinger dextrin</synonym>
    <synonym>1678944</synonym>
    <synonym>79627</synonym>
    <synonym>?-cyclodextrin</synonym>
    <synonym>a-Cycloamylose</synonym>
    <synonym>a-Cyclodextrin</synonym>
    <synonym>a-Dextrin</synonym>
    <synonym>a-Schardinger Dextrin</synonym>
    <synonym>ACX</synonym>
    <synonym>alpha-CD</synonym>
    <synonym>alpha-Cycloamylose</synonym>
    <synonym>alpha-Cyclodextrin</synonym>
    <synonym>ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)</synonym>
    <synonym>alpha-Dextrin</synonym>
    <synonym>alpha-Schardinger dextrin</synonym>
    <synonym>ÃƒÅ½Ã‚Â±-cyclodextrin</synonym>
    <synonym>Ãƒâ€šÃ‚Â¦ÃƒÆ’Ã‚Â-Cyclodextrin</synonym>
    <synonym>Celdex A 100</synonym>
    <synonym>CHEBI:40585</synonym>
    <synonym>Cyclodextrins</synonym>
    <synonym>Cyclohexaamylose</synonym>
    <synonym>Cyclohexapentylose</synonym>
    <synonym>cyclomaltohexaose</synonym>
    <synonym>Cyclomaltohexose</synonym>
    <synonym>Dexy Pearl a-100</synonym>
    <synonym>GU 2292000</synonym>
    <synonym>NCGC00090767-02</synonym>
    <synonym>PACD.Na</synonym>
    <synonym>ptacyclo[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (non-preferred name)</synonym>
    <synonym>Ringdex A</synonym>
    <synonym>UNII-Z1LH97KTRM</synonym>
    <synonym>[10016-20-3]</synonym>
  </synonyms>
  <chemical_formula>C36H60O30</chemical_formula>
  <average_molecular_weight>972.846</average_molecular_weight>
  <monisotopic_moleculate_weight>972.316941</monisotopic_moleculate_weight>
  <iupac_name>(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</iupac_name>
  <traditional_iupac>α-cyclodextrin</traditional_iupac>
  <cas_registry_number>10016-20-3;1229648-14-9;1244024-89-2;23513-50-0;41871-62-9;47910-04-3</cas_registry_number>
  <smiles>OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O</smiles>
  <inchi>InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1</inchi>
  <inchikey>HFHDHCJBZVLPGP-RWMJIURBSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Carbohydrates and carbohydrate conjugates</sub_class>
    <direct_parent>Oligosaccharides</direct_parent>
    <alternate_parents>
      <alternative_parent>Acetals</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
      <alternative_parent>Oxanes</alternative_parent>
      <alternative_parent>Polyols</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
      <alternative_parent>Secondary alcohols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Acetal</substituent>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic heteropolycyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Oligosaccharide</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Oxacycle</substituent>
      <substituent>Oxane</substituent>
      <substituent>Polyol</substituent>
      <substituent>Primary alcohol</substituent>
      <substituent>Secondary alcohol</substituent>
    </substituents>
    <molecular_framework>Aliphatic heteropolycyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>cyclodextrin</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-12.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-2.37</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.09</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.92e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-11</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>11.56</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>(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</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>972.846</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>972.316941</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C36H60O30</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>HFHDHCJBZVLPGP-RWMJIURBSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>474.9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>194.48</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>89.33</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>30</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>18</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf0c46c28&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>444913</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>392705</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
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  </targets>
</compound>
