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

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Formula C29H25NO12
IUPAC Name (2r)-2-[[(5s,6s)-1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Molecular Mass 579.508 g·mol−1
Heat of Formation -1903.4 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 609.59 Å 3
Surface Area 507.29 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
Synonyms
  • benanomicin c
  • d-alanine, n-[(5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl)carbonyl]-
InChIKey GRWBRZRHHYOYGA-BUBWQFJDSA-N
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