Dodeca(4-carboxybenzyl)bambus[6]uril | SBID = 481 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 41 | ||
| 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: | C126H108N24O36 | ||
| M / g/mol: | 2534.34 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: macrocycle, typical host
- Name: Dodeca(4-carboxybenzyl)bambus[6]uril
- Preferred Abbreviation: Dodeca(4-carboxybenzyl)bambus[6]uril
- IUPAC Name:
- CAS:
- CID: -104
- InChiKey:
- InChi:
- CanoSmiles:
- IsoSmiles: O=C1N(CC4=CC=C(C(O)=O)C=C4)C3C(N(CN%21C%20=O)C(N3CN(C(N7CN(C(N%11CN(C(N%15CN(C(N%19CN%20C%23C%21N(CC%25=CC=C(C(O)=O)C=C%25)C(N%23CC%24=CC=C(C(O)=O)C=C%24)=O)=O)C%17C%19N(CC%22=CC=C(C(O)=O)C=C%22)C(N%17CC%18=CC=C(C(O)=O)C=C%18)=O)=O)C%13C%15N(CC%16=CC=C(C(O)=O)C=C%16)C(N%13CC%14=CC=C(C(O)=O)C=C%14)=O)=O)C9C%11N(CC%12=CC=C(C(O)=O)C=C%12)C(N9CC%10=CC=C(C(O)=O)C=C%10)=O)=O)C5C7N(CC8=CC=C(C(O)=O)C=C8)C(N5CC6=CC=C(C(O)=O)C=C6)=O)=O)N1CC2=CC=C(C(O)=O)C=C2
