3′,4′,7-Trimethoxyflavylium ion | SBID = 970 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C18H17O4+ | ||
| M / g/mol: | 297.32518 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: 3′,4′,7-Trimethoxyflavylium ion
- Preferred Abbreviation: Trimethoxyflavylium ion
- IUPAC Name:
- CAS:
- CID: -308
- InChiKey: XXIXTBSZXQVVQD-UHFFFAOYSA-N
- InChi: InChI=1S/C18H17O4/c1-19-14-7-4-12-5-8-15(22-17(12)11-14)13-6-9-16(20-2)18(10-13)21-3/h4-11H,1-3H3/q+1
- CanoSmiles: COc1ccc2c(c1)[o+]c(cc2)c1ccc(c(c1)OC)OC
- IsoSmiles: COC1=CC2=[O+]C(C3=CC=C(OC)C(OC)=C3)=CC=C2C=C1
