[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(2-Methylsulfanyl-4-Oxo-1H-Pyrrolo[2,3-D]Pyrimidin-3-Ium-7-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16N3O8PS
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-methylsulfanyl-4-oxo-1h-pyrrolo[2,3-d]pyrimidin-3-ium-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 393.310 g·mol−1
Heat of Formation -1514.6 ± 16.7 kJ·mol−1
Dipole Moment 8.47 ± 1.08 D
Volume 400.1 Å 3
Surface Area 350.59 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey XSBWXPOJJHPCNB-KCGFPETGSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S