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

Molecule SVG Image

Properties Simple | Detailed

Formula C10H13N5O5
IUPAC Name 6-amino-9-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7h-purine-1,3-diium-5-id-8-one
Molecular Mass 283.241 g·mol−1
Heat of Formation -699.1 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 296.57 Å 3
Surface Area 267.81 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
InChIKey BMUXATQTOKHGNR-KVGLYGGVSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N