(1Xi)-1,4-Anhydro-1-(5-Carbamoyl-4-Hydroxy-1H-Pyrazol-3-Yl)-5-Deoxy-D-Ribitol
Properties
Property | Value |
---|---|
Formula | C9H13N3O5 |
IUPAC Name | 5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-4-hydroxy-pyrazol-1-ium-2-ide-3-carboxamide |
Molecular Mass | 243.217 g·mol−1 |
Heat of Formation | -752.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.27 ± 1.08 D |
Volume | 261.15 Å 3 |
Surface Area | 239.05 Å 2 |
HOMO Energy | -9.28 ± 0.55 eV |
LUMO Energy | -0.38 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZDFJFGFVFKMTSC-FLLFQEBCSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |