2-[Benzyl(Phenyl)Amino]Ethyl (4S)-5-(5,5-Dimethyl-2-Oxido-1,3,2-Dioxaphosphinan-2-Yl)-2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydro-3-Pyridinecarboxylate

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Properties Simple | Detailed

Formula C34H38N3O7P
IUPAC Name 2-(phenyl-(phenylmethyl)amino)ethyl (4s)-5-(5,5-dimethyl-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Molecular Mass 631.655 g·mol−1
Heat of Formation -872.9 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 738.33 Å 3
Surface Area 511.56 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-5-(2-keto-5,5-dimethyl-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-(benzyl-phenyl-amino)ethyl ester
  • (4s)-5-(5,5-dimethyl-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-(phenyl-(phenylmethyl)amino)ethyl ester
InChIKey NSVFSAJIGAJDMR-HKBQPEDESA-N
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