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

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N