[(2S,3Ar,4R,6R,6Ar)-4-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-6-(Hydroxymethyl)-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxol-2-Yl]Phosphonic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C11H14N5O8P
IUPAC Name [(2s,3ar,4r,6r,6ar)-4-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid
Molecular Mass 375.231 g·mol−1
Heat of Formation -1371.2 ± 16.7 kJ·mol−1
Dipole Moment 8.13 ± 1.08 D
Volume 375.14 Å 3
Surface Area 330.22 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey HUEVGFGCIIAYHL-KXSYMAMXSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N