1-{6-[(2R)-1-Carboxy-2-Tridecanyl]-7,8-Dimethyl-2,4-Dioxo-1,2,3,4-Tetrahydrobenzo[G]Pteridin-10-Ium-10-Yl}-1-Deoxy-5-O-Phosphono-D-Ribitol

Molecule SVG Image

Properties Simple | Detailed

Formula C31H48N4O11P
IUPAC Name 1-{6-[(2r)-1-carboxy-2-tridecanyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium-10-yl}-1-deoxy-5-o-phosphono-d-ribitol
Molecular Mass 683.707 g·mol−1
Heat of Formation -2399.6 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 803.21 Å 3
Surface Area 677.51 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.82 ± eV
Point Group Symmetry C1
InChIKey XATUXKKNCYJFKK-QPLRPWAESA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N