Treprostinil

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Properties Simple | Detailed

Formula C23H34O5
IUPAC Name 2-[[(1r,2r,3as,9as)-2-hydroxy-1-[(3s)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
Molecular Mass 390.513 g·mol−1
Heat of Formation -1099.8 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 494.64 Å 3
Surface Area 356.79 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2r,3r,3as,9as)-2-hydroxy-3-[(3s)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalen-8-yl]oxy]acetic acid
  • 2-[[(2r,3r,3as,9as)-2-hydroxy-3-[(3s)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalen-8-yl]oxy]ethanoic acid
  • d06213
  • treprostinil (usan)
InChIKey PAJMKGZZBBTTOY-ZFORQUDYSA-N
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