2-Amino-1,3-Propanediyl Bis({3-[4-(3-{[3-(β-D-Glucopyranosyloxy)-5-Nitrobenzoyl]Amino}Propyl)-1-Piperazinyl]Propyl}Carbamate)

Molecule SVG Image

Properties Simple | Detailed

Formula C51H75N11O22+++
IUPAC Name (z)-2-aminoallyloxycarbonyl-[(3e)-3-[2-[[(3e)-3-[[3-[[(2r,3r,6e)-3,4-dihydroxy-6-(hydroxymethylene)-2,3-dihydropyran-2-yl]oxy]-5-nitro-phenyl]-hydroxy-methyl]iminiopropyl]-vinyl-amino]ethylimino]propylidene]ammonium; (z)-carboxy(propylidene)ammonium; hydron; 3-hydroxyhepta-4,6-diyn-2-one; [(2e,4e)-5-hydroxy-3-[[(e)-3-pyrazine-1,4-diium-1-ylallyl]ammonio]carbonyl-penta-2,4-dienyl]-oxido-azanide; molecular oxygen; trihydrate
Molecular Mass 1212.345 g·mol−1
Heat of Formation -2006.7 ± 16.7 kJ·mol−1
Dipole Moment 20.28 ± 1.08 D
Volume 1578.23 Å 3
Surface Area 1351.22 Å 2
HOMO Energy -6.68 ± 0.55 eV
LUMO Energy -1.85 ± eV
Point Group Symmetry C1
InChIKey RJLCAAJYVGPDFG-HCXAFDEDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N