7-[[[(1R,2S)-2,3-Dihydroxy-1-(Hydroxymethyl)Propyl]Amino]Methyl]-3,5-Dihydropyrrolo[3,2-D]Pyrimidin-1-Ium-4A-Id-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C11H17N4O4
IUPAC Name 7-[[[(1r,2s)-2,3-dihydroxy-1-(hydroxymethyl)propyl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-1-ium-4a-id-4-one
Molecular Mass 269.277 g·mol−1
Heat of Formation -571.0 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 309.02 Å 3
Surface Area 273.5 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey JOCOYFVZEPNJAV-CHBHHRONSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N