POP
- Molecular formula
- H2 O7 P2
- Molecular weight (g/mol)
- 175.96
- Classification
- NATURAL_PRODUCT
Related PDB structures · 2
Names & identifiers
- IUPAC name
- PYROPHOSPHATE 2-
- SMILES
- OP(=O)([O-])OP(=O)(O)[O-]
- Isomeric SMILES
- O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
- InChI
- InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
- InChIKey
- XPPKVPWEQAFLFU-UHFFFAOYSA-L
Chemical & physical properties
- HBA
- 5
- HBD
- 2
- TPSA (Ų)
- 129.95
- cLogP
- -2.08
- Chiral atoms
- 0
- Molar refractivity
- 20.74
- Rings
- 0
- Aromatic rings
- 0
- Fraction Csp³
- 0.0
- Formal charge
- -2
Calculated properties
QED0.461
NPScore0.238226606
SAScore6.981157971