1-Deoxy-1-(7-Methyl-2,4,8-Trioxo-1,3,4,8-Tetrahydropyrimido[4,5-B]Quinolin-10(2H)-Yl)-5-O-Phosphonopentitol

Molecule SVG Image

Properties Simple | Detailed

Formula C17H29N3O10P+
IUPAC Name [(2r,3r,4r)-2,3,4-trihydroxy-5-(7-methyl-2,4,8-trioxo-1,5,6,9-tetrahydropyrimido[4,5-b]quinoline-4a,5,5a,6,7,9,9a,10a-octaid-10-yl)pentyl] dihydrogen phosphate
Molecular Mass 466.400 g·mol−1
Heat of Formation -1960.1 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 476.52 Å 3
Surface Area 408.46 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
InChIKey OOXOPPIFEYLFPX-MJBXVCDLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N