Mono(6-O-a-maltosyl)-β-Cyclodextrin | SBID = 245 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 4 | ||
| 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: | C54H90O45 | ||
| M / g/mol: | 1459.27 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: carbohydrate, macrocycle, typical host
- Name: Mono(6-O-a-maltosyl)-β-Cyclodextrin
- Preferred Abbreviation: Mono(6-O-a-maltosyl)-β-CD
- IUPAC Name:
- CAS:
- CID: -27
- InChiKey: QFSFPJHBIGWPMD-HJBPTXOCSA-N
- InChi: InChI=1S/C54H90O45/c55-1-10-19(63)20(64)29(73)47(83-10)92-38-11(2-56)84-46(30(74)21(38)65)82-9-18-45-28(72)37(81)54(91-18)98-44-17(8-62)89-52(35(79)26(44)70)96-42-15(6-60)87-50(33(77)24(42)68)94-40-13(4-58)85-48(31(75)22(40)66)93-39-12(3-57)86-49(32(76)23(39)67)95-41-14(5-59)88-51(34(78)25(41)69)97-43-16(7-61)90-53(99-45)36(80)27(43)71/h10-81H,1-9H2/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+,46-,47?,48-,49+,50-,51+,52-,53+,54+/m1/s1
- CanoSmiles: O[C@@H]1[C@H](OC([C@@H]2O)O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](CO)O[C@@H](OC[C@@H]3O[C@@H]4[C@@H](O)[C@H](O)[C@H]3O[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](O[C@@H]9[C@H](O)[C@@H](O)[C@H](O[C@@H]%10[C@H](O)[C@@H](O)[C@H](O4)[C@@H](CO)O%10)[C@@H](CO)O9)[C@@H](CO)O8)[C@H](CO)O7)[C@H](CO)O6)[C@H](CO)O5)[C@@H]1O
- IsoSmiles: O[C@@H]1[C@H](OC([C@@H]2O)O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](CO)O[C@@H](OC[C@@H]3O[C@@H]4[C@@H](O)[C@H](O)[C@H]3O[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](O[C@@H]9[C@H](O)[C@@H](O)[C@H](O[C@@H]%10[C@H](O)[C@@H](O)[C@H](O4)[C@@H](CO)O%10)[C@@H](CO)O9)[C@@H](CO)O8)[C@H](CO)O7)[C@H](CO)O6)[C@H](CO)O5)[C@@H]1O
