(1R,3R)-3-Hydroxy-1'H-Spiro[Cyclopentane-1,4'-[2,7]Naphthyridine]-1',3'(2'H)-Dione

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Properties Simple | Detailed

Formula C12H12N2O3
IUPAC Name (3'r,4r)-3'-hydroxyspiro[2,7-naphthyridine-4,1'-cyclopentane]-1,3-dione
Molecular Mass 232.235 g·mol−1
Heat of Formation -433.0 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 259.68 Å 3
Surface Area 232.13 Å 2
HOMO Energy -10.81 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-sesbanine
  • (+/-)-sesbanine
  • (.+-.)-sesbanine
  • (3'r,4r)-3'-hydroxyspiro[2,7-naphthyridine-4,1'-cyclopentane]-1,3-dione
  • (3'r,4r)-3'-hydroxyspiro[2,7-naphthyridine-4,1'-cyclopentane]-1,3-quinone
  • sesbanine
  • spiro(cyclopentane-1,4'(1'h)-(2,7)naphthyridine)-1',3'(2'h)-dione, 3-hydroxy-, (1r,3r)-
  • spiro[cyclopentane-1,4'(1'h)-[2,7]naphthyridine]-1',3'(2'h) -dione, 3-hydroxy-, trans-
  • spiro[cyclopentane-1,4'(1'h)-[2,7]naphthyridine]-1',3'(2'h)-dione, 3-hydroxy-, (1r,3r)-
CAS Number(s)
  • 72776-95-5
InChIKey UETOAKFPMASNTK-JMCQJSRRSA-N
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