(E)-6-[(2R,4S,5R)-2-[1-Methyl-1-(4-Methyl-3-Nitro-Phenoxy)Ethyl]-4-Pyridin-1-Ium-3-Id-3-Yl-1,3-Dioxan-5-Yl]Hex-4-Enoic Acid

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Properties Simple | Detailed

Formula C25H31N2O7
IUPAC Name (e)-6-[(2r,4s,5r)-2-[1-methyl-1-(4-methyl-3-nitro-phenoxy)ethyl]-4-pyridin-1-ium-3-id-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
Molecular Mass 471.523 g·mol−1
Heat of Formation -788.3 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 561.82 Å 3
Surface Area 461.45 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
InChIKey SMGVTWODMPWQLB-JZRAUWTPSA-N
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