Methyl (6S,7S)-7-(Hydroxycarbamoyl)-6-[(4-Phenyl-3,6-Dihydro-1(2H)-Pyridinyl)Carbonyl]-5-Azaspiro[2.5]Octane-5-Carboxylate

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Properties Simple | Detailed

Formula C22H27N3O5
IUPAC Name methyl (6s,7s)-7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2h-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
Molecular Mass 413.467 g·mol−1
Heat of Formation -532.8 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 495.83 Å 3
Surface Area 400.49 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6s)-5-(hydroxycarbamoyl)-6-(4-phenyl3,6-dihydro-2h-pyridine-1-carbonyl)-7-azaspiro[2.5]octane-7-carboxylic acid methyl ester
  • (5s,6s)-5-[(hydroxyamino)-oxomethyl]-6-[oxo-(4-phenyl-3,6-dihydro-2h-pyridin-1-yl)methyl]-7-azaspiro[2.5]octane-7-carboxylic acid methyl ester
  • methyl (5s,6s)-5-(hydroxycarbamoyl)-6-[(4-phenyl-3,6-dihydro-2h-pyridin-1-yl)carbonyl]-7-azaspiro[2.5]octane-7-carboxylate
InChIKey CKZHFOKQZRZCPF-ROUUACIJSA-N
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