[(2R)-4-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Hydroxymethyl)Butyl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C10H19N5O12P3
IUPAC Name [[(2r)-4-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-(hydroxymethyl)butoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 494.205 g·mol−1
Heat of Formation -2885.1 ± 16.7 kJ·mol−1
Dipole Moment 13.71 ± 1.08 D
Volume 481.06 Å 3
Surface Area 401.86 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -2.01 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-pcv-tp
  • [(2r)-4-(2-amino-6-keto-3h-purin-9-yl)-2-methylol-butyl] (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r)-4-(2-amino-6-oxo-3h-purin-9-yl)-2-(hydroxymethyl)butyl] (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
InChIKey KGSIOVLUJYQLKR-ZCFIWIBFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N