(2R)-2-Amino-N-[[(2R,3R,4S,5S)-5-(6-Amino-8H-Purin-9-Ium-8-Ylium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfamoyl]-4-Methylsulfanyl-Butanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C15H24N8O6S2
IUPAC Name (2r)-2-amino-n-[[(2r,3r,4s,5s)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfamoyl]-4-methylsulfanyl-butanamide
Molecular Mass 476.531 g·mol−1
Heat of Formation -838.8 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 507.65 Å 3
Surface Area 407.21 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey DAUQVCLMADDCHF-MLTWFIIGSA-N
QR Code Generate QR Code
Links
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N