(3-{[3-(2-Amino-2-Oxoethyl)-1-Benzyl-2-Ethyl-1H-Indol-5-Yl]Oxy}Propyl)Phosphonic Acid

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Properties Simple | Detailed

Formula C22H27N2O5P
IUPAC Name 3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-indol-1-ium-2-ylium-5-yl]oxypropylphosphonic acid
Molecular Mass 430.434 g·mol−1
Heat of Formation -1010.4 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 511.58 Å 3
Surface Area 436.55 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-(2-amino-2-keto-ethyl)-1-(benzyl)-2-ethyl-indol-5-yl]oxypropylphosphonic acid
  • 3-[3-(2-amino-2-oxo-ethyl)-2-ethyl-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid
  • 3-[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid
  • 3-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-5-indolyl]oxy]propylphosphonic acid
  • ly 311727
  • ly311727
  • phosphonic acid, (3-((3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-1h-indol-5-yl)oxy)propyl)-
  • phosphonic acid, [3-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-1h-indol-5-yl]oxy]-propyl]-
CAS Number(s)
  • 164083-84-5
InChIKey OPWQYOUZRHDKBR-UHFFFAOYSA-N
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