9-{5-O-[({[(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridinyl)Methoxy](Hydroxy)Phosphoryl}Oxy)(Hydroxy)Phosphoryl]-D-Ribofuranosyl}-9H-Purin-6-Amine
Properties
Property | Value |
---|---|
Formula | C18H22N6O12P2 |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (4-formyl-5-hydroxy-6-methyl-pyridin-1-ium-3-id-3-yl)methyl hydrogen phosphate |
Molecular Mass | 576.348 g·mol−1 |
Heat of Formation | -2407.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.42 ± 1.08 D |
Volume | 577.33 Å 3 |
Surface Area | 426.69 Å 2 |
HOMO Energy | -8.98 ± 0.55 eV |
LUMO Energy | -1.34 ± eV |
Point Group Symmetry | C1 |
InChIKey | RUIFPEPERZGNCR-XKLVTHTNSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |