Cas no 60582-98-1 (alpha-Cyclodextrin hydrate)

Alpha-Cyclodextrin hydrate is a cyclic oligosaccharide composed of six α-(1,4)-linked D-glucopyranose units, forming a truncated cone structure with a hydrophobic cavity and hydrophilic exterior. This unique molecular architecture enables the formation of inclusion complexes with small hydrophobic molecules, enhancing solubility, stability, and bioavailability of guest compounds. It is widely utilized in pharmaceuticals, food, and cosmetics as a delivery agent, stabilizer, or odor control additive. The hydrate form ensures consistent handling and storage properties. Its biocompatibility, low toxicity, and ability to modify physicochemical properties of encapsulated substances make it a valuable excipient in formulation science.
alpha-Cyclodextrin hydrate structure
alpha-Cyclodextrin hydrate structure
Product Name:alpha-Cyclodextrin hydrate
CAS No:60582-98-1
MF:C36H62O31
MW:990.8589
CID:5017225
PubChem ID:60161466
Update Time:2025-11-01

alpha-Cyclodextrin hydrate Chemical and Physical Properties

Names and Identifiers

    • alpha-Cyclodextrin hydrate
    • Cyclohexaamylose hydrate
    • Schardinger alpha-Dextrin
    • water.beta-cyclodextrin
    • ^a-Cyclodextrin hydrate
    • alpha-cyclodextrin water
    • 972.86 (anhydrous)
    • C36H60O30.xH2O
    • O646
    • ?-Cyclodextrin (hydrate)
    • SCHEMBL2432145
    • 51211-51-9
    • E79116
    • AKOS025311005
    • (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[26.2.2.2^{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 hydrate
    • (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;hydrate
    • 60582-98-1
    • EN300-19631824
    • MFCD00150804
    • CS-0199177
    • UQIQLAUJPPOBJR-HAPKRNSXSA-N
    • AS-15258
    • BCA21151
    • MDL： MFCD00150804
    • Inchi： 1S/C36H60O30.H2O/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;1H2/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 Key： UQIQLAUJPPOBJR-HAPKRNSXSA-N
    • SMILES： O1[C@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[C@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[C@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[C@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[C@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[C@]2([H])[C@@]([H])([C@]([H])([C@@]1([H])[C@@]([H])(C([H])([H])O[H])O2)O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H].O([H])[H]

Computed Properties

  • Exact Mass: 990.32750517g/mol
  • Monoisotopic Mass: 990.32750517g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 19
  • Hydrogen Bond Acceptor Count: 31
  • Heavy Atom Count: 67
  • Rotatable Bond Count: 6
  • Complexity: 1250
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 30
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 476

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