Basic information
- Standard SMILES
CCOP(=O)(CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(C)cc1)OCC- InChIKey
HDBTXCARFLUKHW-UHFFFAOYSA-N- Molecular formula
- C21H30NO6PS
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.15314585
Names & identifiers
- Preferred name
- diethyl 3-(N-benzyloxy-N-tosylamino)propylphosphonate
- IUPAC
- N-(3-diethoxyphosphorylpropyl)-4-methyl-N-phenylmethoxybenzenesulfonamide
Names & synonyms
SCHEMBL11441699HDBTXCARFLUKHW-UHFFFAOYSA-Ndiethyl 3-(N-benzyloxy-N-tosylamino)propylphosphonate
Database identifiers
- PubChem CID
- 20337228
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 614
Related reactions
2 records
Linked notes
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