2-Amino-5-(Aminomethyl)-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1H-Pyrrolo[2,3-D]Pyrimidine-3,7-Diium-7A-Ylium-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C12H17N5O5
IUPAC Name 2-amino-5-(aminomethyl)-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-pyrrolo[2,3-d]pyrimidine-3,7-diium-7a-ylium-4-one
Molecular Mass 311.294 g·mol−1
Heat of Formation -673.9 ± 16.7 kJ·mol−1
Dipole Moment 9.89 ± 1.08 D
Volume 338.79 Å 3
Surface Area 298.69 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
InChIKey UPGLZFLDBIDPDQ-IOSLPCCCSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N