bis(5-(4-((trityloxy)methyl)-1H-1,2,3-triazol-1-yl)pentanoyloxy)iodate(I) | SBID = 1657 | 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: | 10.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C54H52IN6O6 | ||
| M / g/mol: | 1007.93175 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: bis(5-(4-((trityloxy)methyl)-1H-1,2,3-triazol-1-yl)pentanoyloxy)iodate(I)
- Preferred Abbreviation: trityl triazole iodane
- IUPAC Name:
- CAS: 2387507-95-9
- CID: -651
- InChiKey: JRCATTQKGHRHMJ-UHFFFAOYSA-N
- InChi: InChI=1S/C54H52IN6O6/c62-51(35-19-21-37-60-39-49(56-58-60)41-64-53(43-23-7-1-8-24-43,44-25-9-2-10-26-44)45-27-11-3-12-28-45)66-55-67-52(63)36-20-22-38-61-40-50(57-59-61)42-65-54(46-29-13-4-14-30-46,47-31-15-5-16-32-47)48-33-17-6-18-34-48/h1-18,23-34,39-40H,19-22,35-38,41-42H2
- CanoSmiles: O=C(O[I]OC(=O)CCCCn1nnc(c1)COC(c1ccccc1)(c1ccccc1)c1ccccc1)CCCCn1nnc(c1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
- IsoSmiles: O=C(CCCCN1N=NC(COC(C5=CC=CC=C5)(C6=CC=CC=C6)C3=CC=CC=C3)=C1)O[I]OC(CCCCN2N=NC(COC(C7=CC=CC=C7)(C8=CC=CC=C8)C4=CC=CC=C4)=C2)=O
