6-(4-Nitrophenoxy)-6-Oxohexyl 2-(Trimethylammonio)Ethyl Phosphate

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Properties Simple | Detailed

Formula C17H27N2O8P
IUPAC Name [6-(4-nitrophenoxy)-6-oxo-hexyl] 2-(trimethylammonio)ethyl phosphate
Molecular Mass 418.379 g·mol−1
Heat of Formation -1299.3 ± 16.7 kJ·mol−1
Dipole Moment 12.03 ± 1.08 D
Volume 478.16 Å 3
Surface Area 363.55 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((hydroxy((6-(4-nitrophenoxy)-6-oxohexyl)oxy)phosphinyl)oxy)-n,n,n-trimethylethanaminium hydroxide, inner salt
  • 4-nitrophenyl-6-(o-phosphocholine)hydroxyhexanoate
  • [6-(4-nitrophenoxy)-6-oxo-hexyl] 2-trimethylammonioethyl phosphate
  • [6-(4-nitrophenoxy)-6-oxo-hexyl] 2-trimethylazaniumylethyl phosphate
  • [6-(4-nitrophenoxy)-6-oxohexyl] 2-trimethylammonioethyl phosphate
  • [6-(4-nitrophenoxy)-6-oxohexyl] 2-trimethylazaniumylethyl phosphate
  • [6-keto-6-(4-nitrophenoxy)hexyl] 2-trimethylammonioethyl phosphate
  • epc-nph
  • ethanaminium, 2-((hydroxy((6-(4-nitrophenoxy)-6-oxohexyl)oxy)phosphinyl)oxy)-n,n,n-trimethyl-, hydroxide, inner salt
  • p-nitrophenyl-6-(o-phosphocholine)hydroxyhexanoate
CAS Number(s)
  • 73785-43-0
InChIKey QTQKYDHSYAZAJN-UHFFFAOYSA-N
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