2-Chloro-5'-O-[Hydroxy(Phosphonomethyl)Phosphoryl]Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C11H16ClN5O9P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-2-chloro-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid
Molecular Mass 459.673 g·mol−1
Heat of Formation -1901.9 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 441.01 Å 3
Surface Area 353.6 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
InChIKey INCBEFXULMHULH-FCIPNVEPSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N P