Methyl (1R,2R,4S)-2-Ethyl-2,5,7-Trihydroxy-6,11-Dioxo-4-{[(3Xi)-2,3,6-Trideoxy-4-O-{2,6-Dideoxy-4-O-[(2R,6S)-6-Methyl-5-Oxotetrahydro-2H-Pyran-2-Yl]-α-L-Lyxo-Hexopyranosyl}-3-(Dimethylamino)-α-L-Threo-Hexopyranosyl]Oxy}-1,2,3,4,6,11-Hexahydro-1-Tetracenecarboxylate
Properties
Property | Value |
---|---|
Formula | C42H53NO15 |
IUPAC Name | methyl (1r,2r,4s)-4-[(2r,4s,5s,6r)-4-(dimethylamino)-5-[(2r,4r,5r,6r)-4-hydroxy-6-methyl-5-[(2s,6s)-6-methyl-5-oxo-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate |
Molecular Mass | 811.868 g·mol−1 |
Heat of Formation | -2619.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.58 ± 1.08 D |
Volume | 923.05 Å 3 |
Surface Area | 689.57 Å 2 |
HOMO Energy | -8.72 ± 0.55 eV |
LUMO Energy | -1.57 ± eV |
Point Group Symmetry | C1 |
InChIKey | USZYSDMBJDPRIF-JAFKFOJZSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |