N-[(2-Amino-4-Oxo-4H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Methyl]-4,5-Dihydroxy-2-Cyclopenten-1-Aminium

Molecule SVG Image

Properties Simple | Detailed

Formula C12H13N5O3
IUPAC Name 2-amino-5-[[[(1r,4s,5s)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]pyrrolo[2,3-d]pyrimidine-1,3,7-triium-4-one
Molecular Mass 275.263 g·mol−1
Heat of Formation 11.1 ± 16.7 kJ·mol−1
Dipole Moment 1.51 ± 1.08 D
Volume 310.19 Å 3
Surface Area 283.0 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -2.43 ± eV
Point Group Symmetry C1
InChIKey LAIOPTKSQBPSHG-BHNWBGBOSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N