1-(3-Bromo-3-Deoxy-β-D-Arabinofuranosyl)-2,4(1H,3H)-Pyrimidinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C9H11BrN2O5++
IUPAC Name 1-[(2s,3r,4s,5r)-4-bromo-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 307.098 g·mol−1
Heat of Formation -845.0 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 279.42 Å 3
Surface Area 250.82 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey XMOJQZGVVRHTMQ-GVYWOMJSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N