3-{[(2R,3As,7As)-2-Hydroxyoctahydrofuro[3,2-B]Pyridin-2-Yl]Methyl}-4(3H)-Quinazolinone

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Properties Simple | Detailed

Formula C16H19N3O3
IUPAC Name 3-[[(2r,3as,7as)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3h-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one
Molecular Mass 301.340 g·mol−1
Heat of Formation -402.9 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 347.63 Å 3
Surface Area 295.91 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(2r,3as,7as)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3h-furo[4,5-b]pyridin-2-yl]methyl]-4-quinazolinone
  • 3-[[(2r,3as,7as)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3h-furo[4,5-b]pyridin-2-yl]methyl]quinazolin-4-one
InChIKey YLYLCQRQSRDSQR-OFQRWUPVSA-N
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