3'-O-[(2-Carboxy-2-Hydroxyethoxy)(Hydroxy)Phosphoryl]Adenosine 5'-(Tetrahydrogen Triphosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C13H21N5O19P4
IUPAC Name (2s)-3-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-propanoic acid
Molecular Mass 675.223 g·mol−1
Heat of Formation -4418.0 ± 16.7 kJ·mol−1
Dipole Moment 1.72 ± 1.08 D
Volume 642.31 Å 3
Surface Area 512.21 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey BVGPWHMILIFADE-MACXSXHHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N