(1E,3R,4R,6R,7Z,9Z)-3-(2-Aminoethyl)-10-Cyclohexyl-1-[(2S,3S)-3-Ethyl-6-Oxo-3,6-Dihydro-2H-Pyran-2-Yl]-3,6-Dihydroxy-1,7,9-Decatrien-4-Yl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C25H40NO8P
IUPAC Name [(1r,3r,4z,6z)-1-[(e,1r)-1-(2-aminoethyl)-3-[(2s,3s)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxy-allyl]-7-cyclohexyl-3-hydroxy-hepta-4,6-dienyl] dihydrogen phosphate
Molecular Mass 513.561 g·mol−1
Heat of Formation -1771.6 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 634.18 Å 3
Surface Area 451.71 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • [(1e,3r,4r,6r,7z,9z)-3-(2-aminoethyl)-10-cyclohexyl-1-[(2s,3s)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-3,6-dihydroxy-deca-1,7,9-trien-4-yl] dihydrogen phosphate
  • [(1r,3r,4z,6z)-1-[(e,1r)-1-(2-aminoethyl)-3-[(2s,3s)-3-ethyl-6-keto-2,3-dihydropyran-2-yl]-1-hydroxy-prop-2-enyl]-7-cyclohexyl-3-hydroxy-hepta-4,6-dienyl] dihydrogen phosphate
  • [(1r,3r,4z,6z)-1-[(e,1r)-1-(2-aminoethyl)-3-[(2s,3s)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxy-prop-2-enyl]-7-cyclohexyl-3-hydroxy-hepta-4,6-dienyl] dihydrogen phosphate
  • [(1r,3r,4z,6z)-1-[(e,1r)-1-(2-aminoethyl)-3-[(2s,3s)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyprop-2-enyl]-7-cyclohexyl-3-hydroxyhepta-4,6-dienyl] dihydrogen phosphate
InChIKey GAIPQMSJLNWRGC-MZAVDHTQSA-N
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