[3-Hydroxy-5-(3H-Imidazo[2,1-I]Purin-3-Yl)-4-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl (3,4,5-Trihydroxytetrahydro-2-Furanyl)Methyl Dihydrogen Diphosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C17H14N5O17P3
IUPAC Name [(3z)-3-(3-hydroperoxy-4,5-dioxo-5-phosphooxy-pent-1-ynyl)imino-1,2,3-tris(methylidyneammonio)prop-1-enyl]-methylidyne-ammonium; 9-hydroperoxyspiro[6h-[1,4]dioxino[2,3-f][1,3,5,2,4]trioxadiphosphocine-2,4-diium-2,3'-dioxaphosphiran-3-ium] 4-oxide
Molecular Mass 653.238 g·mol−1
Heat of Formation -680.4 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 631.79 Å 3
Surface Area 584.8 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.98 ± eV
Point Group Symmetry C1
Synonyms
  • (3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxy-oxolan-2-yl)methyl [hydroxy-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]phosphoryl] hydrogen phosphate
  • (3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxy-tetrahydrofuran-2-yl)methyl [hydroxy-[(3,4,5-trihydroxytetrahydrofuran-2-yl)methoxy]phosphoryl] hydrogen phosphate
  • [(2r,3r,4r,5r)-3-hydroxy-5-imidazo[2,1-f]purine-3,6-diium-3-yl-4-phosphonooxyoxolan-2-yl]methyl [hydroxy-[[(2r,3s,4r,5r)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • [3-hydroxy-5-(3-imidazo[2,1-f]purinyl)-4-phosphonooxy-2-tetrahydrofuranyl]methyl [hydroxy-[(3,4,5-trihydroxy-2-tetrahydrofuranyl)methoxy]phosphoryl] hydrogen phosphate
InChIKey KWEQFQACRLGUSH-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O N