2-[4-(Diphenylmethyl)-1-Piperazinyl]Ethyl 5-[(4R,6R)-4,6-Dimethyl-2-Oxido-1,3,2-Dioxaphosphinan-2-Yl]-2,6-Dimethyl-4-(3-Nitrophenyl)Nicotinate

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Properties Simple | Detailed

Formula C38H43N4O7P
IUPAC Name 2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate
Molecular Mass 698.744 g·mol−1
Heat of Formation -785.6 ± 16.7 kJ·mol−1
Dipole Moment 6.24 ± 1.08 D
Volume 829.95 Å 3
Surface Area 636.64 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(4r,6r)-2-keto-4,6-dimethyl-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid 2-[4-[di(phenyl)methyl]piperazin-1-yl]ethyl ester
  • 5-[(4r,6r)-4,6-dimethyl-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid 2-[4-[di(phenyl)methyl]-1-piperazinyl]ethyl ester
InChIKey PFKHLXIJSNUZDT-KAYWLYCHSA-N
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