Dibenzyl N-(phosphonoacetyl)aspartate
[2-[[1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]amino]-2-oxoethyl]phosphonic acid
Also Known As: Dibenzyl N-(phosphonoacetyl)aspartate|[2-[[1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]amino]-2-oxoethyl]phosphonic acid
CAS: 70962-64-0
| Molecular Formula | C20H22NO8P |
|---|---|
| Molecular Weight | 435.1083 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 435.1083 |
| Monoisotopic Mass | 435.1083 |
| Heavy Atoms | 30 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 70962-64-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CP(=O)(O)O |
| InChIKey | FKUGSGPZQIDQDT-UHFFFAOYSA-N |
Product Overview
Dibenzyl N-(phosphonoacetyl)aspartate (CAS 70962-64-0), with molecular formula C20H22NO8P and molecular weight 435.1083 g/mol. IUPAC: [2-[[1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]amino]-2-oxoethyl]phosphonic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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