1-(β-D-Arabinofuranosyl)-4-(Hydroxyamino)-2(1H)-Pyrimidinone

Molecule SVG Image

Properties Simple | Detailed

Formula C9H13N3O6
IUPAC Name (1e)-3-[(e)-[3,4-dioxo-5-(oxomethylene)tetrahydrofuran-2-ylidene]amino]-n-hydroxy-prop-2-ynimidoyl isocyanate
Molecular Mass 259.216 g·mol−1
Heat of Formation -843.2 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 276.27 Å 3
Surface Area 248.98 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-(hydroxyamino)-2-pyrimidinone
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(hydroxyamino)pyrimidin-2-one
  • 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-(hydroxyamino)pyrimidin-2-one
InChIKey XCUAIINAJCDIPM-CCXZUQQUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N