3,7,8,10,12B-Pentahydroxy-9,12-Dimethoxy-3-(1-Methyl-2-Aziridinyl)-3,4,4A,12B-Tetrahydro-1,6(2H,5H)-Tetraphenedione

Molecule SVG Image

Properties Simple | Detailed

Formula C23H25NO9
IUPAC Name (3r,4as,12bs)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-3-[(1r,2s)-1-methylaziridin-2-yl]-2,4,4a,5-tetrahydrobenzo[a]anthracene-1,6-dione
Molecular Mass 459.446 g·mol−1
Heat of Formation -1292.1 ± 16.7 kJ·mol−1
Dipole Moment 10.05 ± 1.08 D
Volume 499.27 Å 3
Surface Area 408.76 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
InChIKey FGEKNLXFZXJGOO-UEFMZXOESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N