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

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Properties Simple | Detailed

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
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