5-[(3As,4S,6Ar)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-4-Yl]Pentyl [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C20H30N7O8PS
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentyl [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 559.533 g·mol−1
Heat of Formation -1501.5 ± 16.7 kJ·mol−1
Dipole Moment 7.75 ± 1.08 D
Volume 604.01 Å 3
Surface Area 517.24 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey OZFOMOLUGCRUBS-SQGSUPJISA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S