Pyrophosphoric acid, P,P-diisopropyl P',P'-dimethyl tetraester
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Basic information
- CAS
40731-72-4- Standard SMILES
COP(=O)(OC)OP(=O)(OC(C)C)OC(C)C- InChIKey
FOICLFXMGGCWBZ-UHFFFAOYSA-N- Molecular formula
- C8H20O7P2
- Average molar mass
- 290.19 g/mol
- Monoisotopic mass
- 290.06842697
Names & identifiers
- Preferred name
- Pyrophosphoric acid, P,P-diisopropyl P',P'-dimethyl tetraester
- IUPAC
- dimethoxyphosphoryl dipropan-2-yl phosphate
- English name
- Diphosphoric acid P1,P1-dimethyl P2,P2-bis(1-methylethyl) ester
- Molecular formula
- C8H20O7P2
- Molecular weight
- 290.19
Names & synonyms
BRN 171400740731-72-4Pyrophosphoric acid, P,P-diisopropyl P',P'-dimethyl tetraesterDimethyl diisopropyl pyrophosphate asym.Pyrophosphoric acid, O,O-diisopropyl O',O'-dimethyl esterDiphosphoric acid, P,P-dimethyl P',P'-bis(1-methylethyl) esterDTXSID501937144-01-00-01479 (Beilstein Handbook Reference)RefChem:377835DTXCID90116205Diphosphoric acid P1,P1-dimethyl P2,P2-bis(1-methylethyl) esterDimethyl di(propan-2-yl) diphosphate
Show more names
Diphosphoric acid, P,P-dimethyl P',P'-bis(1-methylethyl) ester (9CI)
Database identifiers
- CAS
40731-72-4- PubChem CID
- 218517
- DTXSID
DTXSID50193714- Nikkaji
- J51.427F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 251.9 · 251.9±9.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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