9-[(2S,6S)-6-{[(6-Hydroxyhexyl)Oxy]Methyl}-3-Oxo-3,6-Dihydro-2H-Pyran-2-Yl]-1,3-Dimethyl-3,9-Dihydro-1H-Purine-2,6-Dione
Properties
Property | Value |
---|---|
Formula | C19H26N4O6 |
IUPAC Name | 9-[(2s,6r)-2-(6-hydroxyhexoxymethyl)-5-oxo-2h-pyran-6-yl]-1,3-dimethyl-purine-2,6-dione |
Molecular Mass | 406.433 g·mol−1 |
Heat of Formation | -840.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.50 ± 1.08 D |
Volume | 472.72 Å 3 |
Surface Area | 377.29 Å 2 |
HOMO Energy | -9.15 ± 0.55 eV |
LUMO Energy | 1.83 ± eV |
Point Group Symmetry | C1 |
InChIKey | FHOFJRKDXZHSEO-SCLBCKFNSA-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 |