Dibenzyl N-(phosphonoacetyl)aspartate
Basic information
- CAS
70962-64-0- Standard SMILES
O=C(CP(=O)(O)O)NC(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1- InChIKey
FKUGSGPZQIDQDT-UHFFFAOYSA-N- Molecular formula
- C20H22NO8P
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 435.10830366
Names & identifiers
- Preferred name
- Dibenzyl N-(phosphonoacetyl)aspartate
- IUPAC
- [2-[[1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]amino]-2-oxoethyl]phosphonic acid
Names & synonyms
70962-64-0Dibenzyl N-(phosphonoacetyl)aspartateNSC272280DTXSID50313551NSC-272280
Database identifiers
- CAS
70962-64-0- PubChem CID
- 321439
- DTXSID
DTXSID50313551
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…