(3R,6R)-3-Benzyl-3-Hydroxy-6-Isobutyl-6-(Methylamino)-2,5-Morpholinedione

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Properties Simple | Detailed

Formula C16H22N2O4
IUPAC Name (3r,6r)-3-benzyl-3-hydroxy-6-isobutyl-6-(methylamino)morpholine-2,5-dione
Molecular Mass 306.357 g·mol−1
Heat of Formation -655.2 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 376.38 Å 3
Surface Area 300.1 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,6r)-3-(benzyl)-3-hydroxy-6-isobutyl-6-methylamino-morpholine-2,5-quinone
  • (3r,6r)-3-hydroxy-6-isobutyl-6-methylamino-3-(phenylmethyl)morpholine-2,5-dione
  • (3r,6r)-3-hydroxy-6-methylamino-6-(2-methylpropyl)-3-(phenylmethyl)morpholine-2,5-dione
  • 2,5-morpholinedione, 3-hydroxy-6-(methylamino)-6-(2-methylpropyl)-3-(phenylmethyl)-, trans-
  • metacytofilin
  • trans-3-hydroxy-6-(methylamino)-6-(2-methylpropyl)-3-(phenylmethyl)-2,5-morpholinedione
CAS Number(s)
  • 145398-57-8
InChIKey DPVKIQKSCWSCBE-HZPDHXFCSA-N
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