{4-[(10R,11E,14S,18S)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzyl}Phosphonic Acid

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Properties Simple | Detailed

Formula C37H45N4O7P
IUPAC Name [4-[(10r,11e,14s,18s)-18-(2-amino-2-oxo-ethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl]methylphosphonic acid
Molecular Mass 688.750 g·mol−1
Heat of Formation -1456.8 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 811.35 Å 3
Surface Area 553.98 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(10s,14s,18s)-18-(2-amino-2-oxoethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzylphosphonic acid
  • [4-[(10r,11e,14s,18s)-18-(2-amino-2-keto-ethyl)-8,17,20-triketo-14-(1-naphthylmethyl)-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzyl]phosphonic acid
  • [4-[(10r,11e,14s,18s)-18-(2-amino-2-oxo-ethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl]methylphosphonic acid
  • [4-[(10r,11e,14s,18s)-18-(2-amino-2-oxo-ethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl]methylphosphonic acid
  • [4-[(10r,11e,14s,18s)-18-(2-amino-2-oxoethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl]methylphosphonic acid
  • [4-[(10r,11e,14s,18s)-18-(2-amino-2-oxoethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl]methylphosphonic acid
  • dtf
InChIKey RHYFMOCFCFUTNH-GZNVFMSSSA-N
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