DL-3-Fluoro-1,2-propanediol 1-(dihydrogen phosphate) bis(cyclohexylammonium) salt
Basic information
- CAS
29802-63-9- Standard SMILES
NC1CCCCC1.NC1CCCCC1.O=P(O)(O)OCC(O)CF- InChIKey
FPNBGESKEFQWTJ-UHFFFAOYSA-N- Molecular formula
- C15H34FN2O5P
- Average molar mass
- 372.41 g/mol
- Monoisotopic mass
- 372.21893735
Names & identifiers
- Preferred name
- DL-3-Fluoro-1,2-propanediol 1-(dihydrogen phosphate) bis(cyclohexylammonium) salt
- IUPAC
- bis(cyclohexanamine);(3-fluoro-2-hydroxypropyl) dihydrogen phosphate
Names & synonyms
NSC 167906DL-3-Fluoro-1,2-propanediol 1-(dihydrogen phosphate) bis(cyclohexylammonium) saltDL-1-Deoxyfluoroglycerol 3-phosphate dicyclohexylammonium salt1,2-Propanediol, 3-fluoro-, 1-(dihydrogen phosphate), bis(cyclohexylammonium) salt, DL-
Database identifiers
- CAS
29802-63-9- PubChem CID
- 207378
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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