(3R,5S,6E)-7-[(7S)-7-(4-Biphenylylmethyl)-2-(4-Fluorophenyl)-4,5,6,7-Tetrahydro-2H-Indazol-3-Yl]-3,5-Dihydroxy-6-Heptenoic Acid

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Properties Simple | Detailed

Formula C33H33FN2O4
IUPAC Name (e,3r,5s)-7-[(7s)-2-(4-fluorophenyl)-7-[(4-phenylphenyl)methyl]-4,5,6,7-tetrahydroindazol-3-yl]-3,5-dihydroxy-hept-6-enoic acid
Molecular Mass 540.625 g·mol−1
Heat of Formation -548.1 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 659.65 Å 3
Surface Area 538.31 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (e,3r,5s)-7-[(7s)-2-(4-fluorophenyl)-7-(4-phenylbenzyl)-4,5,6,7-tetrahydroindazol-3-yl]-3,5-dihydroxy-hept-6-enoic acid
  • (e,3r,5s)-7-[(7s)-2-(4-fluorophenyl)-7-[(4-phenylphenyl)methyl]-4,5,6,7-tetrahydroindazol-3-yl]-3,5-dihydroxy-hept-6-enoic acid
  • (e,3r,5s)-7-[(7s)-2-(4-fluorophenyl)-7-[(4-phenylphenyl)methyl]-4,5,6,7-tetrahydroindazol-3-yl]-3,5-dihydroxyhept-6-enoic acid
  • 6-heptenoic acid, 7-(7-((1,1'-biphenyl)-4-ylmethyl)-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-2h-indazol-3-yl)-3,5-dihydroxy-, (3(3s*,5r*,7e),7r*)-
  • 7-(7-((1,1'-biphenyl-4-yl)methyl)-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-2h-indazol-3-yl)-3,5-dihydroxy-6-heptenoic acid
  • biphme-tidha sodium
CAS Number(s)
  • 153321-50-7
InChIKey LRLBHWLNEJHHLJ-DFFCFZDXSA-N
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