[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4S)-5-[7,8-Dimethyl-5-(3-Methylbutanoyl)-2,4-Dioxo-1H-Benzo[G]Pteridine-5,10-Diium-10-Yl]-2,3,4-Trihydroxy-Pentyl] Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C32H43N9O16P2++++
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-5-[7,8-dimethyl-5-(3-methylbutanoyl)-2,4-dioxo-benzo[g]pteridine-5,10-diium-10-yl]-2,3,4-trihydroxy-pentyl] hydrogen phosphate
Molecular Mass 871.682 g·mol−1
Heat of Formation -3298.7 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 925.49 Å 3
Surface Area 580.87 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
InChIKey XMTPQDXUNBTYAY-KQGUAMSLSA-S
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N