Dodecakis(5‐carboxypentyl)bambus[6]uril | SBID = 454 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 11 | ||
| 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: | C102H156N24O36 | ||
| M / g/mol: | 2294.47 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: macrocycle, typical host
- Name: Dodecakis(5‐carboxypentyl)bambus[6]uril
- Preferred Abbreviation: Dodecakis(5‐carboxypentyl)bambus[6]uril
- IUPAC Name: 6,6'-(4-((3-ethyl-4-(6-hydroperoxy-6-oxohexyl)-6-(7-hydroperoxy-7-oxoheptyl)-2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)methyl)-6-methyl-2,5-dioxotetrahydroimidazo[4,5-d]imidazole-1,3(2H,3aH)-diyl)dihexaneperoxoic acid
- CAS:
- CID: -93
- InChiKey:
- InChi:
- CanoSmiles:
- IsoSmiles: O=C(N2CN(C(N4CN(C(N6CN(C(N8CN(C(N%10CN%11C%13C%12N(CCCCCC(O)=O)C(N%13CCCCCC(O)=O)=O)=O)C9C%10N(CCCCCC(O)=O)C(N9CCCCCC(O)=O)=O)=O)C7C8N(CCCCCC(O)=O)C(N7CCCCCC(O)=O)=O)=O)C5C6N(CCCCCC(O)=O)C(N5CCCCCC(O)=O)=O)=O)C3C4N(CCCCCC(O)=O)C(N3CCCCCC(O)=O)=O)N(CN%12C%11=O)C1C2N(CCCCCC(O)=O)C(N1CCCCCC(O)=O)=O
