[[(2R)-4-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-2-(Hydroxymethyl)Butoxy]-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C10H20N5O12P3+
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 495.213 g·mol−1
Heat of Formation -2965.0 ± 16.7 kJ·mol−1
Dipole Moment 11.53 ± 1.08 D
Volume 472.72 Å 3
Surface Area 366.0 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
InChIKey VOUZPNFVHUYXPP-ZCFIWIBFSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N