[(2R,3R,4R,5R)-5-(6-Aminopurin-9-Yl)-3-[[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(3-Iodopyridin-1-Ium-1-Yl)Tetrahydrofuran-2-Yl]Methoxy]-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C20H27IN6O16P3+
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(3-iodopyridin-1-ium-1-yl)oxolan-2-yl]methoxy]-4-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 827.285 g·mol−1
Heat of Formation -3337.7 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 737.97 Å 3
Surface Area 534.95 Å 2
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-3-[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(3-iodo-1-pyridin-1-iumyl)-2-tetrahydrofuranyl]methoxy]-4-phosphonooxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(3-iodopyridin-1-ium-1-yl)oxolan-2-yl]methoxy]-4-phosphonooxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
InChIKey OQBRLIOBUPRHII-HISDBWNOSA-O
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C I H O N P