5-Deoxy-5-(8-Hydroxy-2,4-Dioxo-3,4-Dihydropyrimido[4,5-B]Quinolin-10(2H)-Yl)-D-Xylitol

Molecule SVG Image

Properties Simple | Detailed

Formula C16H25N3O7
IUPAC Name 8-hydroxy-10-[(2r,3s,4s)-2,3,4,5-tetrahydroxypentyl]-5,6,7,9-tetrahydropyrimido[4,5-b]quinolin-1-ium-4a,5,5a,6,7,8,9,9a-octaide-2,4-dione
Molecular Mass 371.386 g·mol−1
Heat of Formation -1113.1 ± 16.7 kJ·mol−1
Dipole Moment 8.00 ± 1.08 D
Volume 389.03 Å 3
Surface Area 339.59 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 1.03 ± eV
Point Group Symmetry C1
InChIKey AUEILLWDYUBWCM-AGIUHOORSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N