N-[[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl]-2-(1H-Benzimidazol-3-Ium-7A-Id-2-Yl)Acetamide
Properties
Property | Value |
---|---|
Formula | C18H21N6O5+ |
IUPAC Name | n-[[(2r,3s,4r,5r)-5-(6-amino-2-oxo-1h-pyrimidin-3-ium-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-(1h-benzimidazol-2-yl)acetamide |
Molecular Mass | 401.397 g·mol−1 |
Heat of Formation | -609.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.08 ± 1.08 D |
Volume | 437.37 Å 3 |
Surface Area | 392.7 Å 2 |
HOMO Energy | -8.89 ± 0.55 eV |
LUMO Energy | -0.79 ± eV |
Point Group Symmetry | C1 |
InChIKey | MIKAJQFQBQKGEE-GAEVZRCVSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |