Diphenyl ({[(1S)-2-(4-Biphenylyl)-1-(2H-Tetrazol-5-Yl)Ethyl]Amino}Methyl)Phosphonate

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Properties Simple | Detailed

Formula C26H18N5O3P
IUPAC Name (1s)-n-[bis(phenoxy)phosphorylmethyl]-2-(4-phenylphenyl)-1-(2h-tetrazol-5-yl)ethanamine
Molecular Mass 479.427 g·mol−1
Heat of Formation -76.1 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 601.18 Å 3
Surface Area 460.36 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-n-[bis(phenoxy)phosphorylmethyl]-2-(4-phenylphenyl)-1-(2h-1,2,3,4-tetrazol-5-yl)ethanamine
  • (s)-diphenyl (((2-(1,1'-biphenyl)-4-yl-1-(1h-tetrazol-5-yl)ethyl)amino)methyl)phosphonate
  • 2-biphenyl-4-yl-1-(1h-tetrazol-5-yl)ethylaminoethyl phosphonic acid
  • bis(phenoxy)phosphorylmethyl-[(1s)-2-(4-phenylphenyl)-1-(2h-tetrazol-5-yl)ethyl]amine
  • cgs 26393
  • cgs-26393
  • phosphonic acid, (((2-(1,1'-biphenyl)-4-yl-1-(1h-tetrazol-5-yl)ethyl)amino)methyl)-, diphenyl ester, (s)-
CAS Number(s)
  • 154116-34-4
InChIKey AHIFMZUYRNPRJK-MHZLTWQESA-N
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