Diphosphoric acid, mono(2-(dimethylamino)ethyl-14C2) ester
Basic information
- CAS
115914-85-7- Standard SMILES
CN(C)[14CH2][14CH2]OP(=O)(O)OP(=O)(O)O- InChIKey
QGKJQRINUQGSJM-NUQCWPJISA-N- Molecular formula
- C4H13NO7P2
- Average molar mass
- 253.08 g/mol
- Monoisotopic mass
- 253.02320973
Names & identifiers
- Preferred name
- Diphosphoric acid, mono(2-(dimethylamino)ethyl-14C2) ester
- IUPAC
- 2-(dimethylamino)(1,2-14C2)ethyl phosphono hydrogen phosphate
Names & synonyms
Diphosphoric acid, mono(2-(dimethylamino)ethyl-14C2) ester115914-85-7Mono(2-(dimethylamino)ethyl-14C2) diphosphateDTXSID901512322-(Dimethylamino)(~14~C_2_)ethyl trihydrogen diphosphate
Database identifiers
- CAS
115914-85-7- PubChem CID
- 135403
- DTXSID
DTXSID90151232
Properties
Computed structural properties
- XLogP
- -4.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 260
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Compound notes
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