Methyl (3S,5R,6E)-7-[3-Bromo-4,5-Bis(4-Fluorophenyl)-2-Isopropyl-1H-Pyrrol-1-Yl]-3,5-Dihydroxy-6-Heptenoate

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Properties Simple | Detailed

Formula C27H28BrF2NO4
IUPAC Name methyl (e,3s,5r)-7-[4-bromo-2,3-bis(4-fluorophenyl)-5-isopropyl-pyrrol-1-yl]-3,5-dihydroxy-hept-6-enoate
Molecular Mass 548.416 g·mol−1
Heat of Formation -887.7 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 598.4 Å 3
Surface Area 474.47 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (e,3s,5r)-7-[4-bromo-2,3-bis(4-fluorophenyl)-5-isopropyl-1-pyrrolyl]-3,5-dihydroxyhept-6-enoic acid methyl ester
  • (e,3s,5r)-7-[4-bromo-2,3-bis(4-fluorophenyl)-5-isopropyl-pyrrol-1-yl]-3,5-dihydroxy-hept-6-enoic acid methyl ester
  • 6- heptenoic acid, 7-(3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1h-pyrrol-1-yl)-3,5-dihydroxy-, methyl ester, (r*,s*-(e))-(+-)-
  • 7-(3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1h-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester
  • 7-bbfp-mpdh methyl ester
  • methyl (e,3s,5r)-7-[4-bromo-2,3-bis(4-fluorophenyl)-5-isopropyl-pyrrol-1-yl]-3,5-dihydroxy-hept-6-enoate
  • methyl (e,3s,5r)-7-[4-bromo-2,3-bis(4-fluorophenyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-dihydroxy-hept-6-enoate
  • methyl (e,3s,5r)-7-[4-bromo-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyhept-6-enoate
  • methyl (r*,s*-(e))-(+-)-7-(3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1h-pyrrol-1-yl)-3,5-dihydroxy-6- heptenoate
CAS Number(s)
  • 151106-12-6
InChIKey MUTCAPXLKRYEPR-WYCPQIHASA-N
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