2-[(2,2-Dichloro-1-Hydroxyethyl)Amino]-3-Hydroxy-1-(4-Nitrophenyl)Propyl Hydrogen {4-[(Trifluoroacetyl)Amino]Benzyl}Phosphonate
Properties
Property | Value |
---|---|
Formula | C20H21Cl2F3N3O8P |
IUPAC Name | [(1r,2r)-2-[[(1s)-2,2-dichloro-1-hydroxy-ethyl]amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phosphinic acid |
Molecular Mass | 590.271 g·mol−1 |
Heat of Formation | -1902.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.27 ± 1.08 D |
Volume | 611.27 Å 3 |
Surface Area | 485.66 Å 2 |
HOMO Energy | -10.01 ± 0.55 eV |
LUMO Energy | -1.60 ± eV |
Point Group Symmetry | C1 |
InChIKey | PXDSVFRUDNCBRZ-NUJGCVRESA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H Cl O N P |