N-[3-(1,3-Dimethyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Propyl]-7-(β-D-Galactopyranosyloxy)-2-Oxo-2H-Chromene-3-Carboxamide
Properties
Property | Value |
---|---|
Formula | C26H29N5O11 |
IUPAC Name | n-[3-(1,3-dimethyl-2,6-dioxo-7h-purin-9-ium-5-id-8-yl)propyl]-2-oxo-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromene-3-carboxamide |
Molecular Mass | 587.535 g·mol−1 |
Heat of Formation | -1716.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.12 ± 1.08 D |
Volume | 636.73 Å 3 |
Surface Area | 462.02 Å 2 |
HOMO Energy | -9.09 ± 0.55 eV |
LUMO Energy | 1.78 ± eV |
Point Group Symmetry | C1 |
InChIKey | PSHIXQHKZSNFIT-LBRQCZJCSA-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 |