Pyrophosphate | SBID = 2465 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 89.49 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | -2.21 | ||
| Charge: | -2.0 | ||
| 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: | C2H6O5P2-- | ||
| M / g/mol: | 172.013562 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: Pyrophosphate
- Preferred Abbreviation: Pyrophosphate
- IUPAC Name:
- CAS:
- CID: -1061
- InChiKey: CCQOIBGABQRPJK-UHFFFAOYSA-L
- InChi: InChI=1S/C2H8O5P2/c1-8(3,4)7-9(2,5)6/h1-2H3,(H,3,4)(H,5,6)/p-2
- CanoSmiles: [O-]P(=O)(OP(=O)(C)[O-])C
- IsoSmiles: [O-]P(OP([O-])(C)=O)(C)=O
