HP-beta-CD

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 8
Total Number of Articles : 7
PubChem 138319308
Molecular Formula

C63H112O42

SMILES

CC(COC[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]([C@H]([C@@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@H]([C@@H]8O)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)O)O)O

InChI

InChI=1S/C63H112O42/c1-22(64)8-85-15-29-50-36(71)43(78)57(92-29)100-51-30(16-86-9-23(2)65)94-59(45(80)38(51)73)102-53-32(18-88-11-25(4)67)96-61(47(82)40(53)75)104-55-34(20-90-13-27(6)69)98-63(49(84)42(55)77)105-56-35(21-91-14-28(7)70)97-62(48(83)41(56)76)103-54-33(19-89-12-26(5)68)95-60(46(81)39(54)74)101-52-31(17-87-10-24(3)66)93-58(99-50)44(79)37(52)72/h22-84H,8-21H2,1-7H3/t22?,23?,24?,25?,26?,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-/m1/s1

synonyms
  • HP-beta-CD
  • BDBM455844
  • US10722597, Compound HP-beta-CD
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Properties
Property Value
MW 1541.5 g/mol
HBD 21
HBA 42
Rotatable Bond Count 28
Exact Mass 1540.6628176 g/mol
Monoisotopic Mass 1540.6628176 g/mol
Heavy Atom Count 105
Isotope Atom Count 0
Atom Stereo Count 42
Covalent Unit Count 1
Complexity 2010
xlogp -13
Topological Polar Surface Area 619