(2R)-2-Hydroxypropyl Methyl (4S)-2,6-Dimethyl-4-(2-Nitrophenyl)-1,4-Dihydro-3,5-Pyridinedicarboxylate

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Formula C19H22N2O7
IUPAC Name o5-[(2r)-2-hydroxypropyl] o3-methyl (4s)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Mass 390.387 g·mol−1
Heat of Formation -850.9 ± 16.7 kJ·mol−1
Dipole Moment 8.58 ± 1.08 D
Volume 442.8 Å 3
Surface Area 356.51 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid o3-[(2r)-2-hydroxypropyl] o5-methyl ester
  • 3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 2-hydroxypropyl methyl ester, (r*,s*)-(+-)-
  • m-1 (beta)
  • mp3689
  • o3-[(2r)-2-hydroxypropyl] o5-methyl (4s)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number(s)
  • 145594-64-5
InChIKey ZRMYVWHQZOHYKR-QGHHPUGFSA-N
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