2-Amino-9-[(2R,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-8-Thioxo-3H-Purine-1,7,9-Triium-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C10H13N5O5S
IUPAC Name 2-amino-9-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-thioxo-3h-purine-1,7,9-triium-6-one
Molecular Mass 315.306 g·mol−1
Heat of Formation -637.6 ± 16.7 kJ·mol−1
Dipole Moment 9.48 ± 1.08 D
Volume 328.9 Å 3
Surface Area 286.32 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey XFEMMQVOUKVBEV-ODDQGPIYSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N