(1R,4S,7R,8R)-4-Hydroxy-7-Isobutyl-1-Methyl-9,10-Dioxa-6-Azatricyclo[5.2.1.0~4,8~]Decane-3,5-Dione

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Formula C12H17NO5
IUPAC Name (1r,4s,7r,8r)-4-hydroxy-7-isobutyl-1-methyl-9,10-dioxa-6-azatricyclo[5.2.1.0 4,8 ]decane-3,5-dione
Molecular Mass 255.267 g·mol−1
Heat of Formation -925.6 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 292.39 Å 3
Surface Area 250.46 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2,7-epoxypyrano(2,3-c)pyrrole-4,5-dione, hexahydro-4a-hydroxy-2-methyl-7-(2-methylpropyl)-, (2r,4as,7r,7ar)-rel-( )-
  • rubrobramide
CAS Number(s)
  • 205386-57-8
InChIKey DDXFYNDEHYHXPW-JTLRNRKASA-N
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