(2S,3S,4S,5R,6S)-4-{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Phosphonooxy)Phosphoryl]Oxy}-3,5,6-Trihydroxytetrahydro-2H-Pyran-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C15H22N2O18P2
IUPAC Name (2s,3s,4s,5r,6s)-4-[dihydroxyphosphoryloxy-[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-3,5,6-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 580.285 g·mol−1
Heat of Formation -1990.7 ± 16.7 kJ·mol−1
Dipole Moment 9.12 ± 1.08 D
Volume 504.68 Å 3
Surface Area 427.56 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -2.77 ± eV
Point Group Symmetry C1
InChIKey KTKHGQYPCCMXBN-LOTYEHSISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O N