(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]-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one |
Molecular Mass | 268.226 g·mol−1 |
Heat of Formation | 134.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.53 ± 1.08 D |
Volume | 258.37 Å 3 |
Surface Area | 248.92 Å 2 |
HOMO Energy | -9.80 ± 0.55 eV |
LUMO Energy | 0.70 ± eV |
Point Group Symmetry | Cs |
InChIKey | MTCJZZBQNCXKAP-PQZFFIDOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O N |