N-[(1,5,9,14-Tetrahydroxy-7,11-Dimethoxy-3-Methyl-8,13-Dioxo-5,6,8,13-Tetrahydrobenzo[A]Tetracen-2-Yl)Carbonyl]Alanine

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Properties Simple | Detailed

Formula C29H25NO11
IUPAC Name (2s)-2-[[(5s)-1,5,9,14-tetrahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Molecular Mass 563.509 g·mol−1
Heat of Formation -1657.0 ± 16.7 kJ·mol−1
Dipole Moment 8.12 ± 1.08 D
Volume 606.8 Å 3
Surface Area 506.18 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 1.44 ± eV
Point Group Symmetry C1
InChIKey BBIMHVVAVXBCFV-BONVTDFDSA-N
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