(4E)-6-[(2R,4R,5S)-2-[2-(4-Methyl-3-Nitrophenoxy)-2-Propanyl]-4-(3-Pyridinyl)-1,3-Dioxan-5-Yl]-4-Hexenoic Acid

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Properties Simple | Detailed

Formula C25H30N2O7
IUPAC Name (e)-6-[(2r,4r,5s)-2-[2-(4-methyl-3-nitrophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
Molecular Mass 470.515 g·mol−1
Heat of Formation -773.7 ± 16.7 kJ·mol−1
Dipole Moment 7.48 ± 1.08 D
Volume 567.46 Å 3
Surface Area 444.81 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-6-[(2r,4r,5s)-2-[1-methyl-1-(4-methyl-3-nitro-phenoxy)ethyl]-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid
  • (e)-6-[(2r,4r,5s)-2-[1-methyl-1-(4-methyl-3-nitrophenoxy)ethyl]-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid
  • (e)-6-[(2r,4r,5s)-2-[2-(4-methyl-3-nitro-phenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
InChIKey YDVMAXZQUCBVQL-NNUZSLGXSA-N
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