2-Hydroxypropyl-Beta-Cyclodextrin
FEATURES
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NAMES
  • 2-Hydroxypropyl-Beta-Cyclodextrin
SMILES
CC(O)COC[C@@H]1O[C@H]2O[C@H]3[C@H](COCC(C)O)O[C@@H](O[C@H]4[C@H](COCC(C)O)O[C@@H](O[C@H]5[C@H](COCC(C)O)O[C@@H](O[C@H]6[C@H](COCC(C)O)OC[C@@H](O[C@H]7[C@H](COCC(C)O)O[C@@H](O[C@H]8[C@H](COCC(C)O)O[C@@H](O[C@H]9[C@H](COCC(C)O)O[C@@H](O[C@@H]1[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]9O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@@H]7O)[C@@H]6O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O
InChI
InChI=1S/C72H128O47/c1-26(73)9-96-17-35-58-43(81)34(25-104-35)105-59-36(18-97-10-27(2)74)106-67(51(89)44(59)82)114-61-38(20-99-12-29(4)76)108-69(53(91)46(61)84)116-63-40(22-101-14-31(6)78)110-71(55(93)48(63)86)118-65-42(24-103-16-33(8)80)112-72(57(95)50(65)88)119-64-41(23-102-15-32(7)79)111-70(56(94)49(64)87)117-62-39(21-100-13-30(5)77)109-68(54(92)47(62)85)115-60-37(19-98-11-28(3)75)107-66(113-58)52(90)45(60)83/h26-95H,9-25H2,1-8H3/t26?,27?,28?,29?,30?,31?,32?,33?,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+/m1/s1
MOLECULAR FORMULA
C72H128O47
CROSS REFERENCES
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2-Hydroxypropyl-Beta-Cyclodextrin
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight1744.76
AlogP-13.48
HBond donors23
HBond acceptors47
Atoms247
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 2-Hydroxypropyl-Beta-Cyclodextrin.