(3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 2,3,6-Trideoxy-3-{[(2Z)-3,4-Dicarboxy-2-Butenoyl]Amino}-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C33H33NO15
IUPAC Name (2z)-2-[2-[[(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]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-2-oxo-ethylidene]butanedioic acid
Molecular Mass 683.613 g·mol−1
Heat of Formation -2439.5 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 738.84 Å 3
Surface Area 586.78 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
InChIKey IIZSVMHRXBHTLX-LTCKTASZSA-N
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