1-[(2S,4S,5R)-4-Hydroxy-5-(Isocyanomethyl)Tetrahydrofuran-2-Yl]-5-Methyl-Pyrimidine-2,4-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C11H14N3O4
IUPAC Name 1-[(2s,4s,5r)-4-hydroxy-5-(isocyanomethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 252.247 g·mol−1
Heat of Formation -526.0 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 288.48 Å 3
Surface Area 265.74 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
InChIKey QXHDPGYLWVUGST-YIZRAAEISA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N