Mono(6-amino-6-deoxy)-β-Cyclodextrin | SBID = 539 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | |||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C42H71NO34 | ||
| M / g/mol: | 1134.0 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: carbohydrate, macrocycle, typical host
- Name: Mono(6-amino-6-deoxy)-β-Cyclodextrin
- Preferred Abbreviation: Mono(6-amino-6-deoxy)-β-Cyclodextrin
- IUPAC Name:
- CAS:
- CID: -119
- InChiKey: OZBFLQITCMCIOY-XQXLMPOPSA-N
- InChi: InChI=1S/C42H71NO34/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/h8-42,44-63H,1-7,43H2/t8-,9-,10-,11-,12-,13-,14+,15?,16?,17-,18-,19?,20+,21?,22-,23-,24-,25-,26-,27+,28-,29-,30-,31-,32-,33-,34-,35+,36-,37-,38-,39-,40-,41+,42-/m1/s1
- CanoSmiles: O[C@@H]1C([C@H](O[C@@H]2[C@H](O)C(O)[C@H](O3)[C@@H](CO)O2)[C@@H](CN)O[C@@H]1O[C@@H]4[C@@H](CO)O[C@H](O[C@H]5C(O)[C@@H](O)[C@@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](O)[C@@H]([C@H](O[C@H]8[C@H](O)[C@H]([C@@H]3O[C@@H]8CO)O)O[C@H]7CO)O)[C@H](O)C6O)O[C@@H]5CO)[C@H](O)[C@H]4O)O
- IsoSmiles: O[C@@H]1[C@@H](O)[C@@]2([H])O[C@]([C@H](O)[C@H]3O)([H])[C@@H](CO)O[C@]3([H])O[C@]([C@H](O)[C@H]4O)([H])[C@@H](CO)O[C@]4([H])O[C@]([C@H](O)[C@H]5O)([H])[C@@H](CO)O[C@]5([H])O[C@]([C@H](O)[C@H]6O)([H])[C@@H](CO)O[C@]6([H])O[C@]([C@H](O)[C@H]7O)([H])[C@@H](CO)O[C@]7([H])O[C@]([C@H](O)[C@H]8O)([H])[C@@H](CO)O[C@]8([H])O[C@]1([H])C(CN)O2
