(2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-[1,4-Phenylenebis(Methylene)]Bis(6-{[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl]Oxy}-4-Hydroxy-2-Methyltetrahydro-2H-Pyran-3-Aminium)
Properties
Property | Value |
---|---|
Formula | C62H66N2O20++ |
IUPAC Name | [(2s,3s,4s,6r)-6-[[(1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]-4-hydroxy-2-methyl-tetrahydropyran-3-yl]-[[4-[[[(2s,3s,4s,6r)-6-[[(1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]-4-hydroxy-2-methyl-tetrahydropyran-3-yl]ammonio]methyl]phenyl]methyl]ammonium |
Molecular Mass | 1159.189 g·mol−1 |
Heat of Formation | 4841.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 39.77 ± 1.08 D |
Volume | 1112.09 Å 3 |
Surface Area | 866.53 Å 2 |
HOMO Energy | -7.84 ± 0.55 eV |
LUMO Energy | -3.67 ± eV |
Point Group Symmetry | C1 |
InChIKey | CRXRBKHVHUKITD-MJSRGEEMSA-P |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O N |