alpha-cyclodextrin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 86
Total Number of Articles : 107
PubChem 444913
Molecular Formula

C36H60O30

SMILES

C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O

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

synonyms
  • alpha-CYCLODEXTRIN
  • 10016-20-3
  • Cyclohexapentylose
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Properties
Property Value
MW 972.8 g/mol
HBD 18
HBA 30
Rotatable Bond Count 6
Exact Mass 972.31694049 g/mol
Monoisotopic Mass 972.31694049 g/mol
Heavy Atom Count 66
Isotope Atom Count 0
Atom Stereo Count 30
Covalent Unit Count 1
Complexity 1250
xlogp -12.9
Topological Polar Surface Area 475