6I-O-(1-naphtholxy)-2I,31-di-O- methylhexakis(2II-VII,3II-VII,6II-VII-tri-O-methyl)-B-cyclodextrin | SBID = 2070 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C72H116O35
M / g/mol: 1541.67044
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 6I-O-(1-naphtholxy)-2I,31-di-O- methylhexakis(2II-VII,3II-VII,6II-VII-tri-O-methyl)-B-cyclodextrin
  • Preferred Abbreviation: 6I-O-(1-naphtholxy)-2I,31-di-O- methylhexakis(2II-VII,3II-VII,6II-VII-tri-O-methyl)-B-cyclodextrin
  • IUPAC Name:
  • CAS:
  • CID: -896
  • InChiKey: KSTJOALPGYKAAK-UHFFFAOYSA-N
  • InChi: InChI=1S/C72H116O35/c1-73-28-38-45-52(79-7)60(87-15)67(95-38)103-47-40(30-75-3)97-69(62(89-17)54(47)81-9)105-49-42(32-77-5)99-71(64(91-19)56(49)83-11)107-51-44(34-93-37-27-23-25-35-24-21-22-26-36(35)37)100-72(65(92-20)58(51)85-13)106-50-43(33-78-6)98-70(63(90-18)57(50)84-12)104-48-41(31-76-4)96-68(61(88-16)55(48)82-10)102-46-39(29-74-2)94-66(101-45)59(86-14)53(46)80-8/h21-27,38-72H,28-34H2,1-20H3
  • CanoSmiles: COC[C@H]1O[C@@H]2O[C@H]3[C@H](COC)O[C@H]([C@H]([C@@H]3OC)OC)O[C@H]3[C@H](COC)O[C@H]([C@H]([C@@H]3OC)OC)O[C@H]3[C@H](COC)O[C@H]([C@H]([C@@H]3OC)OC)O[C@H]3[C@@H](O[C@@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]1[C@@H]([C@H]2OC)OC)[C@H](OC)[C@H]5OC)COc1cccc2c1cccc2)[C@H](OC)[C@H]4OC)COC)[C@@H](OC)[C@@H]3OC)COC
  • IsoSmiles: CO[C@@H]1[C@@H](OC)[C@H](O[C@@H]2[C@H](OC)[C@@H](OC)[C@H](O3)[C@@H](COC)O2)[C@@H](COC4=C(C=CC=C5)C5=CC=C4)O[C@@H]1O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@@H]7[C@@H](OC)[C@H](OC)[C@H](O[C@@H]8[C@@H](OC)[C@H](OC)[C@H](O[C@@H]9[C@@H](OC)[C@H](OC)[C@H](O[C@@H]%10[C@@H](OC)[C@H](OC)[C@H]3O[C@H]%10COC)O[C@H]9COC)O[C@H]8COC)O[C@H]7COC)O[C@@H]6COC