Mono(6-carboxymethylamino-6-deoxy)-β-Cyclodextrin | SBID = 540 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 5 | ||
| 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: | C44H73NO36 | ||
| M / g/mol: | 1192.04 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: carbohydrate, macrocycle, typical host
- Name: Mono(6-carboxymethylamino-6-deoxy)-β-Cyclodextrin
- Preferred Abbreviation: Mono(6-carboxymethylamino-6-deoxy)-β-CD
- IUPAC Name:
- CAS:
- CID: -120
- InChiKey: GJVFLDWWRXIOCQ-BAUPKPRLSA-N
- InChi: InChI=1S/C44H73NO36/c46-3-10-32-19(56)26(63)40(70-10)78-34-12(5-48)72-42(28(65)21(34)58)80-36-14(7-50)74-44(30(67)23(36)60)81-37-15(8-51)73-43(29(66)22(37)59)79-35-13(6-49)71-41(27(64)20(35)57)77-33-11(4-47)69-39(25(62)18(33)55)75-31-9(1-45-2-16(52)53)68-38(76-32)24(61)17(31)54/h9-15,17-51,54-67H,1-8H2,(H,52,53)/t9-,10-,11-,12-,13-,14-,15+,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-,43+,44-/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](CNCC(O)=O)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@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O3)[C@@H](CO)O2)[C@@H](CNCC(O)=O)O[C@@H]1O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@@H](O)[C@H](O)[C@H](O[C@@H]6[C@@H](O)[C@H](O)[C@H](O[C@@H]7[C@@H](O)[C@H](O)[C@H](O[C@@H]8[C@@H](O)[C@H](O)[C@H]3O[C@H]8CO)O[C@H]7CO)O[C@H]6CO)O[C@H]5CO)O[C@@H]4CO
