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

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Properties Simple | Detailed

Formula C29H25NO11
IUPAC Name (2r)-2-[[(5r)-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 -1615.3 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 606.43 Å 3
Surface Area 503.47 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • d-alanine, n-((5,6,8,13-tetrahydro-1,5,9,14-tetrahydroxy-7,11-dimethoxy-3-me- thyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-
  • d-alanine, n-((5,6,8,13-tetrahydro-1,5,9,14-tetrahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-
  • pradimicin o
CAS Number(s)
  • 132971-64-3
InChIKey BBIMHVVAVXBCFV-MEBBXXQBSA-N
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