N-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl]-2-(2-Hydroxyphenyl)Ethanesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C18H22N6O6S
IUPAC Name n-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-(2-hydroxyphenyl)ethanesulfonamide
Molecular Mass 450.469 g·mol−1
Heat of Formation -719.7 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 491.33 Å 3
Surface Area 427.12 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey YCRMXFXYLPWWGT-SCFUHWHPSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N