methyl-beta-cyclodextrin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 653
Total Number of Articles : 626
PubChem 75607519
Molecular Formula

C54H94O35

SMILES

COC1C(C2C(OC1OC3C(OC(C(C3OC)OC)OC4C(OC(C(C4OC)OC)OC5C(OC(C(C5OC)OC)OC6C(OC(C(C6OC)OC)OC7C(OC(C(C7OC)OC)OC8C(OC(O2)C(C8O)OC)CO)CO)CO)CO)CO)CO)CO)O

InChI

InChI=1S/C54H94O35/c1-64-36-28(63)30-21(14-56)76-48(36)83-29-20(13-55)77-49(37(65-2)27(29)62)85-31-22(15-57)79-51(44(72-9)38(31)66-3)87-33-24(17-59)81-53(46(74-11)40(33)68-5)89-35-26(19-61)82-54(47(75-12)42(35)70-7)88-34-25(18-60)80-52(45(73-10)41(34)69-6)86-32-23(16-58)78-50(84-30)43(71-8)39(32)67-4/h20-63H,13-19H2,1-12H3

synonyms
  • 128446-36-6
  • methyl beta-cyclodextrin
  • Methyl--cyclodextrin
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Properties
Property Value
MW 1303.3 g/mol
HBD 9
HBA 35
Rotatable Bond Count 19
Exact Mass 1302.5575647 g/mol
Monoisotopic Mass 1302.5575647 g/mol
Heavy Atom Count 89
Isotope Atom Count 0
Atom Stereo Count 35
Covalent Unit Count 1
Complexity 2050
xlogp -8.6
Topological Polar Surface Area 422