[(2R,3S,5R)-3-Hydroxy-5-(6-Methyl-2-Oxo-Pyrrolo[2,3-D]Pyrimidin-1-Ium-3-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C12H18N3O7P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-(6-methyl-2-oxo-pyrrolo[2,3-d]pyrimidin-1-ium-3-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 347.261 g·mol−1
Heat of Formation -1388.6 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 359.73 Å 3
Surface Area 318.06 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey VOKZMFPBFFRNPZ-IVZWLZJFSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N