(1S)-1,4-Anhydro-1-[7-Oxo(1,6-~2~H_2_)-6,7-Dihydro-1H-Pyrazolo[4,3-D]Pyrimidin-3-Yl]-D-(O~2~,O~3~,O~5~-~2~H_3_)Ribitol
Properties
Property | Value |
---|---|
Formula | C10H12N4O5 |
IUPAC Name | 3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4h-pyrazolo[4,3-d]pyrimidine-2,6-diium-3-ylium-7-one |
Molecular Mass | 268.226 g·mol−1 |
Heat of Formation | -558.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.61 ± 1.08 D |
Volume | 286.13 Å 3 |
Surface Area | 259.45 Å 2 |
HOMO Energy | -9.54 ± 0.55 eV |
LUMO Energy | -0.89 ± eV |
Point Group Symmetry | C1 |
InChIKey | MTCJZZBQNCXKAP-PQZFFIDOSA-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 |