[(3S)-4-Hydroxy-3-[(4-Oxo-3,5-Dihydropyrrolo[3,2-D]Pyrimidin-1-Ium-4A-Id-7-Yl)Methylamino]Butyl]Phosphonic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C11H18N4O5P
IUPAC Name [(3s)-4-hydroxy-3-[(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-1-ium-4a-id-7-yl)methylamino]butyl]phosphonic acid
Molecular Mass 317.258 g·mol−1
Heat of Formation -997.9 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 354.59 Å 3
Surface Area 321.76 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey OWEMRTNLRNUBDH-QKTHJCGZSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N