9-[(2R,3Ar,4R,6R,6Ar)-2-Hydroxy-6-(Hydroxymethyl)-2-Sulfido-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-2-Ium-4-Yl]-2-Amino-3H-Purine-1,7-Diium-4-Id-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C10H14N5O6PS
IUPAC Name 9-[(2r,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-sulfido-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ium-4-yl]-2-amino-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 363.287 g·mol−1
Heat of Formation -1013.4 ± 16.7 kJ·mol−1
Dipole Moment 10.30 ± 1.08 D
Volume 358.64 Å 3
Surface Area 312.53 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
InChIKey NXNPLAZGAGYISU-KVBUDSETSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S