1-[4-(3-Amino-6,7-Dimethyl-1-Oxo-1,4,5,6,6A,7-Hexahydroimidazo[1,5-F]Pteridin-8(9H)-Yl)Phenyl]-1-Deoxy-5-O-{5-O-[(1,3-Dicarboxypropoxy)(Hydroxy)Phosphoryl]Pentofuranosyl}Pentitol

Molecule SVG Image

Properties Simple | Detailed

Formula C31H45N6O16P+
IUPAC Name 1-[4-(3-amino-6,7-dimethyl-1-oxo-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl)phenyl]-1-deoxy-5-o-{5-o-[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}pentitol
Molecular Mass 788.693 g·mol−1
Heat of Formation -3149.2 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 869.23 Å 3
Surface Area 614.11 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey GBMIGEWJAPFSQI-QHFPFIAOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N