(4Ar,6R,7R,7As)-6-(6-Amino-9H-Purin-9-Yl)-2-(Butyryloxy)Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Ol 2-Oxide

Molecule SVG Image

Properties Simple | Detailed

Formula C14H18N5O7P
IUPAC Name [(2s,4ar,6r,7r,7as)-6-(6-aminopurin-9-ium-9-yl)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl] butanoate
Molecular Mass 399.296 g·mol−1
Heat of Formation -1263.8 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 417.33 Å 3
Surface Area 341.44 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey ZLDCZSIYOHFKLS-XEMKWHLNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N