Mono[2-O-(2-hydroxypropyl)]-β-Cyclodextrin | SBID = 240 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| 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: | C45H76O36 | ||
| M / g/mol: | 1193.07 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: carbohydrate, macrocycle, typical host
- Name: Mono[2-O-(2-hydroxypropyl)]-β-Cyclodextrin
- Preferred Abbreviation: Mono[2-O-(2-hydroxypropyl)]-β-CD
- IUPAC Name:
- CAS:
- CID: -23
- InChiKey: AWDODIOBYTUSHB-OOCXMKMGSA-N
- InChi: InChI=1S/C45H76O36/c1-10(53)9-67-38-30(66)37-17(8-52)74-45(38)81-36-16(7-51)73-43(29(65)23(36)59)79-34-14(5-49)71-41(27(63)21(34)57)77-32-12(3-47)69-39(25(61)19(32)55)75-31-11(2-46)68-40(24(60)18(31)54)76-33-13(4-48)70-42(26(62)20(33)56)78-35-15(6-50)72-44(80-37)28(64)22(35)58/h10-66H,2-9H2,1H3/t10?,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-,43+,44+,45+/m0/s1
- CanoSmiles: O[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O3)[C@@H](CO)O2)[C@@H](CO)O[C@H](O[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)[C@@H]1OCC(C)O
- IsoSmiles: O[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O3)[C@@H](CO)O2)[C@@H](CO)O[C@H](O[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)[C@@H]1OCC(C)O
