N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-Alanine 2-ethylbutyl ester
- Product NameN-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-L-Alanine 2-ethylbutyl ester
- CAS1354823-36-1
- MFC21H27N2O7P
- MW450.43
- EINECS251-228-4
- MOL File1354823-36-1.mol
Chemical Properties
Boiling point | 546.4±60.0 °C(Predicted) |
Density | 1.241±0.06 g/cm3(Predicted) |
storage temp. | 2-8°C |
solubility | DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 25 mg/ml |
pka | -6.06±0.70(Predicted) |
form | A solid |
InChI | InChI=1/C21H27N2O7P/c1-4-17(5-2)15-28-21(24)16(3)22-31(27,29-19-9-7-6-8-10-19)30-20-13-11-18(12-14-20)23(25)26/h6-14,16-17H,4-5,15H2,1-3H3,(H,22,27)/t16-,31?/s3 |
InChIKey | CSURKLFFMMBEFL-HSCOGUAZNA-N |
SMILES | P(=O)(N[C@@H](C)C(=O)OCC(CC)CC)(OC1C=CC=CC=1)OC1C=CC(N(=O)=O)=CC=1 |&1:3,r| |