1-(β-D-Ribofuranosyl)-1,3-Dihydro-2H-1,3-Diazepin-2-One

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Formula C10H14N2O5
IUPAC Name 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-1,3-diazepin-2-one
Molecular Mass 242.229 g·mol−1
Heat of Formation -775.3 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 264.73 Å 3
Surface Area 238.58 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-1,3-diazepin-2-one
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-1,3-diazepin-2-one
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-1,3-diazepin-2-one
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-1,3-diazepin-2-one
  • 1-beta-ribofuranosyl-1,3-diazepinone
  • brd
InChIKey MEPCJRCEYSZBDO-FNCVBFRFSA-N
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