[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-[[Hydroxy(Phosphonooxy)Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Naphthalene-1-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H21N5O11P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] naphthalene-1-carboxylate
Molecular Mass 581.366 g·mol−1
Heat of Formation -2157.3 ± 16.7 kJ·mol−1
Dipole Moment 1.31 ± 1.08 D
Volume 587.17 Å 3
Surface Area 447.74 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey XNCSCDUZOHOJIP-WVSUBDOOSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N