5-[(3As,5R,6R,6As)-6-[(E,3S)-7-(3-Azidophenyl)-3-Hydroxy-Hept-1-Enyl]-5-Hydroxy-1,3A,4,5,6,6A-Hexahydropentalen-2-Yl]Pentanoic Acid

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Formula C26H36N3O4
IUPAC Name 5-[(3as,5r,6r,6as)-6-[(e,3s)-7-(3-azidophenyl)-3-hydroxy-hept-1-enyl]-5-hydroxy-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
Molecular Mass 454.582 g·mol−1
Heat of Formation -478.1 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 592.46 Å 3
Surface Area 469.27 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
InChIKey JUMYYDAXSMBQIB-DHLVSJIASA-N
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