N-{7-[(2,3-Di-O-Carbamoyl-6-Deoxy-5-Methyl-4-O-Methyl-β-D-Gulopyranosyl)Oxy]-4-Hydroxy-8-Methyl-2-Oxo-2H-Chromen-3-Yl}-4-Hydroxy-3-(3-Methyl-2-Buten-1-Yl)Benzamide
Properties
Property | Value |
---|---|
Formula | C32H37N3O12 |
IUPAC Name | [(3r,4r,5r,6s)-5-carbamoyloxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxo-chromen-7-yl]oxy-3-methoxy-2,2-dimethyl-tetrahydropyran-4-yl] carbamate |
Molecular Mass | 655.649 g·mol−1 |
Heat of Formation | -1981.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.51 ± 1.08 D |
Volume | 736.17 Å 3 |
Surface Area | 596.41 Å 2 |
HOMO Energy | -8.70 ± 0.55 eV |
LUMO Energy | -0.80 ± eV |
Point Group Symmetry | C1 |
InChIKey | RUXZDJMEVSFRBO-OSSDZZHWSA-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 |