2-Hydroxypropyl-beta-cyclodextrin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 157
Total Number of Articles : 262
PubChem 44134771
Molecular Formula

C54H102O39

SMILES

CCCO.CCCO.CCCO.CCCO.C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O

InChI

InChI=1S/C42H70O35.4C3H8O/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;4*1-2-3-4/h8-63H,1-7H2;4*4H,2-3H2,1H3

synonyms
  • 94035-02-6
  • tetrakis(1-proponol); cyclo-hepta-amylose
  • BZRWCHBEBFPRGF-UHFFFAOYSA-N
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Properties
Property Value
MW 1375.4 g/mol
HBD 25
HBA 39
Rotatable Bond Count 11
Exact Mass 1374.5998234 g/mol
Monoisotopic Mass 1374.5998234 g/mol
Heavy Atom Count 93
Isotope Atom Count 0
Atom Stereo Count 35
Covalent Unit Count 5
Complexity 1490
xlogp None
Topological Polar Surface Area 635