2-{2-[2-(2-{4-[(α-D-Mannopyranosyloxy)Methyl]-1H-1,2,3-Triazol-1-Yl}Ethoxy)Ethoxy]Ethoxy}Ethyl 2-[3,6-Bis(Diethylamino)-9H-Xanthen-9-Yl]Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C45H61N5O12
IUPAC Name 2-[2-[2-[2-[4-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl]ethoxy]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
Molecular Mass 863.992 g·mol−1
Heat of Formation -1692.8 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 1032.77 Å 3
Surface Area 865.2 Å 2
HOMO Energy -7.90 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
InChIKey NMXJNHVQXYBXDU-ZOLSBRMLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N