Ethyl dihydrogen diphosphate
Basic information
- CAS
20680-57-3- Standard SMILES
CCOP(=O)(O)OP(=O)(O)O- InChIKey
OJDJHGIXNZPZFD-UHFFFAOYSA-N- Molecular formula
- C2H8O7P2
- Average molar mass
- 206.03 g/mol
- Monoisotopic mass
- 205.97452659
Names & identifiers
- Preferred name
- Ethyl dihydrogen diphosphate
- IUPAC
- ethyl phosphono hydrogen phosphate
Names & synonyms
20680-57-3ETHYL DIHYDROGEN DIPHOSPHATEmonoethyl pyrophosphateDiphosphoric acid, monoethyl esterethyl phosphono hydrogen phosphateethyl trihydrogen diphosphateP22BUEMonoethylPyrophosphateSCHEMBL609969DTXSID50864957OJDJHGIXNZPZFD-UHFFFAOYSA-N
Show more names
DB01798NS00070576Q27092939
Database identifiers
- CAS
20680-57-3- PubChem CID
- 448674
- DTXSID
DTXSID50864957- Nikkaji
- J979.206F
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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