[(2R,3S,4S)-5-(7,8-Dimethyl-1,3-Dioxo-Pyrido[4,3-B]Quinoxalin-10-Ium-5A-Id-5-Yl)-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C18H23N3O9P
IUPAC Name [(2r,3s,4s)-5-(7,8-dimethyl-1,3-dioxo-pyrido[4,3-b]quinoxalin-10-ium-5a-id-5-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Molecular Mass 456.364 g·mol−1
Heat of Formation -1769.5 ± 16.7 kJ·mol−1
Dipole Moment 10.27 ± 1.08 D
Volume 487.15 Å 3
Surface Area 413.97 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -2.06 ± eV
Point Group Symmetry C1
InChIKey ROTJFEIOEBPYBO-HATDYOSVSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N