4-[(3E)-4-(4-Hydroxyphenyl)-3-Hexen-3-Yl]Phenyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C18H21O5P
IUPAC Name [4-[(e)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenyl] dihydrogen phosphate
Molecular Mass 348.330 g·mol−1
Heat of Formation -1097.5 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 409.57 Å 3
Surface Area 351.92 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(e)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenyl] dihydrogen phosphate
  • [4-[(e)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenyl] dihydrogen phosphate
  • des-mp
  • diethylstilbestrol monophosphate
  • pdes
  • phenol, 4-(1-ethyl-2-(4-hydroxyphenyl)-1-butenyl)-, 1-(dihydrogen phosphate), (e)-
  • phosphate diethylstilbesterol
CAS Number(s)
  • 47341-71-9
InChIKey RBNWMSXZPICYAL-ISLYRVAYSA-N
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