Unsubstituted Bambus[6]uril | SBID = 1788 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C30H36N24O12 | ||
| M / g/mol: | 924.76 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: Unsubstituted Bambus[6]uril
- Preferred Abbreviation: (H)BU[6]
- IUPAC Name:
- CAS:
- CID: -719
- InChiKey: HLHHJEYUBZGYJM-UHFFFAOYSA-N
- InChi: InChI=1S/C30H36N24O12/c55-19-31-7-9(33-19)45-2-47-11-13(37-21(57)35-11)49(27(47)63)4-51-15-17(41-23(59)39-15)53(29(51)65)6-54-18-16(40-24(60)42-18)52(30(54)66)5-50-14-12(36-22(58)38-14)48(28(50)64)3-46-10-8(32-20(56)34-10)44(26(46)62)1-43(7)25(45)61/h7-18H,1-6H2,(H2,31,33,55)(H2,32,34,56)(H2,35,37,57)(H2,36,38,58)(H2,39,41,59)(H2,40,42,60)
- CanoSmiles: O=C1N2CN3C4NC(=O)NC4N(C3=O)CN3C4NC(=O)NC4N(C3=O)CN3C4C(N(CN5C(=O)N(CN6C(=O)N(CN1C1C2NC(=O)N1)C1NC(=O)NC61)C1NC(=O)NC51)C3=O)NC(=O)N4
- IsoSmiles: O=C1NC2C(N3C(N2CN(C(N4CN(C(N5CN(C(N6CN(C(N7CN(C(N8C3)=O)C(C8N9)NC9=O)=O)C(C7N%10)NC%10=O)=O)C(C6N%11)NC%11=O)=O)C(C5N%12)NC%12=O)=O)C(C4N%13)NC%13=O)=O)N1
