[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3S,4S)-2,3,4-Trihydroxy-5-[(1R,3R,3As)-1-Hydroxy-10,11-Dimethyl-4,6-Dioxo-3-Phenyl-2,3,5,6-Tetrahydro-1H-Benzo[G]Pyrrolo[2,1-E]Pteridin-8(4H)-Yl]Pentyl Dihydrogen Diphosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C36H43N9O16P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(1r,3r,3as)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-phenyl-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]pentyl dihydrogen diphosphate
Molecular Mass 919.725 g·mol−1
Heat of Formation -3033.0 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 978.23 Å 3
Surface Area 740.78 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 9
  • a
  • f
InChIKey ILGFMEOMSHHKRB-LHVNJQMSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N