Eptaprost

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Properties Simple | Detailed

Formula C24H34O5
IUPAC Name 4-[(2e)-2-[(3as,4s,5r,6as)-5-hydroxy-4-[(3s,4s)-3-hydroxy-4-methyl-nona-1,6-diynyl]-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-ylidene]ethoxy]butanoic acid
Molecular Mass 402.524 g·mol−1
Heat of Formation -656.0 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 533.41 Å 3
Surface Area 471.33 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-((2e,3as,4s,5r,6as)-hexahydro-5-hydroxy-4-((3s,4s)-3-hydroxy-4-methyl-1,6-nonadiyny)-2(1h)-pentalenylidene)ethoxy)butyric acid
  • 4-[(2e)-2-[(3as,4s,5r,6as)-5-hydroxy-4-[(3s,4s)-3-hydroxy-4-methyl-nona-1,6-diynyl]-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-ylidene]ethoxy]butanoic acid
  • 4-[(2e)-2-[(3as,4s,5r,6as)-5-hydroxy-4-[(3s,4s)-3-hydroxy-4-methyl-nona-1,6-diynyl]-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-ylidene]ethoxy]butyric acid
  • 4-[(2e)-2-[(3as,4s,5r,6as)-5-hydroxy-4-[(3s,4s)-3-hydroxy-4-methylnona-1,6-diynyl]-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-ylidene]ethoxy]butanoic acid
  • eptaloprost
  • eptaloprostum [latin]
CAS Number(s)
  • 90693-76-8
InChIKey MAUUNYHAXGTMMQ-AMXXQSRZSA-N
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