5'-O-[4-(Fluorosulfonyl)Benzoyl]Inosine

Molecule SVG Image

Properties Simple | Detailed

Formula C17H15FN4O8S
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaid-9-yl)tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate
Molecular Mass 454.386 g·mol−1
Heat of Formation -1175.9 ± 16.7 kJ·mol−1
Dipole Moment 12.64 ± 1.08 D
Volume 458.43 Å 3
Surface Area 395.44 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -2.09 ± eV
Point Group Symmetry C1
InChIKey PIYDJHVVMJELRZ-XNIJJKJLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S