1-(β-D-Ribofuranosyl)-1,3,4,7-Tetrahydro-2H-1,3-Diazepin-2-One

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Formula C10H16N2O5
IUPAC Name 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,7-dihydro-1h-1,3-diazepin-2-one
Molecular Mass 244.244 g·mol−1
Heat of Formation -836.5 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 273.23 Å 3
Surface Area 241.54 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4,7-dihydro-3h-1,3-diazepin-2-one
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,7-dihydro-3h-1,3-diazepin-2-one
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,7-dihydro-3h-1,3-diazepin-2-one
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4,7-dihydro-3h-1,3-diazepin-2-one
InChIKey HBBIVXDEBCKFIZ-FNCVBFRFSA-N
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