(6R,7R,7Ar)-6-[6-(Butyrylamino)-9H-Purin-9-Yl]-2-Hydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Yl Butyrate

Molecule SVG Image

Properties Simple | Detailed

Formula C18H24N5O8P
IUPAC Name [(2s,4as,6r,7r,7as)-6-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
Molecular Mass 469.386 g·mol−1
Heat of Formation -1472.6 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 514.48 Å 3
Surface Area 401.23 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
InChIKey CJGYSWNGNKCJSB-OOFAAZBHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N