sodium 3,3'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)dipropionate | SBID = 1887 | 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: | 8.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C20H12N2Na2O8 | ||
| M / g/mol: | 454.29742 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: sodium 3,3'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)dipropionate
- Preferred Abbreviation: sodium 3,3'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)dipropionate
- IUPAC Name:
- CAS: 167359-45-7
- CID: -799
- InChiKey: XRULSTYUAIYGHC-UHFFFAOYSA-L
- InChi: InChI=1S/C20H14N2O8.2Na/c23-13(24)5-7-21-17(27)9-1-2-10-16-12(4-3-11(15(9)16)19(21)29)20(30)22(18(10)28)8-6-14(25)26;;/h1-4H,5-8H2,(H,23,24)(H,25,26);;/q;2*+1/p-2
- CanoSmiles: [Na]OC(=O)CCN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CCC(=O)O[Na]
- IsoSmiles: O=C(N(CCC(O[Na])=O)C1=O)C2=C(C1=CC=C3C(N(CCC(O[Na])=O)C4=O)=O)C3=C4C=C2
