2-[2-(2-{4-[(α-D-Mannopyranosyloxy)Methyl]-1H-1,2,3-Triazol-1-Yl}Ethoxy)Ethoxy]Ethyl 2-[3,6-Bis(Diethylamino)-9H-Xanthen-9-Yl]Benzoate
Properties
Property | Value |
---|---|
Formula | C43H57N5O11 |
IUPAC Name | 2-[2-[2-[4-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate |
Molecular Mass | 819.940 g·mol−1 |
Heat of Formation | -1509.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.60 ± 1.08 D |
Volume | 975.55 Å 3 |
Surface Area | 822.82 Å 2 |
HOMO Energy | -7.83 ± 0.55 eV |
LUMO Energy | -0.12 ± eV |
Point Group Symmetry | C1 |
InChIKey | LPSYXQPVOZLKRL-VWIMFXPFSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |