(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-Trihydroxy-3-Methyl-1-[(2R)-6-Oxo-3,6-Dihydro-2H-Pyran-2-Yl]-1,7,9,11-Tridecatetraen-4-Yl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C19H27O9P
IUPAC Name [(1r,3r,4z,6z,8e)-3,10-dihydroxy-1-[(e,1r)-1-hydroxy-1-methyl-3-[(2r)-6-oxo-2,3-dihydropyran-2-yl]allyl]deca-4,6,8-trienyl] dihydrogen phosphate
Molecular Mass 430.386 g·mol−1
Heat of Formation -1737.1 ± 16.7 kJ·mol−1
Dipole Moment 7.10 ± 1.08 D
Volume 500.47 Å 3
Surface Area 423.45 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-pyran-2-one, 5,6-dihydro-6-[(1e,3r,4r,6r,7z,9z,11e)-3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,7,9,11-tridecatetraenyl]-, (6r)-
  • 87810-56-8 (free acid)
  • 87860-39-7 (sodium salt)
  • [(1e,3r,4r,6r,7z,9z,11e)-3,6,13-trihydroxy-3-methyl-1-[(2r)-6-oxo-2,3-dihydropyran-2-yl]trideca-1,7,9,11-tetraen-4-yl] dihydrogen phosphate
  • [(1r,3r,4z,6z,8e)-3,10-dihydroxy-1-[(e,1r)-1-hydroxy-1-methyl-3-[(2r)-6-oxo-2,3-dihydropyran-2-yl]prop-2-enyl]deca-4,6,8-trienyl] dihydrogen phosphate
  • [(1r,3r,4z,6z,8e)-3,10-dihydroxy-1-[(e,1r)-1-hydroxy-3-[(2r)-6-keto-2,3-dihydropyran-2-yl]-1-methyl-prop-2-enyl]deca-4,6,8-trienyl] dihydrogen phosphate
InChIKey ZMQRJWIYMXZORG-DSWNLJKISA-N
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