(2R)-2-({[(5S,6S)-5-{[(2S,3R,4S,5R,6R)-5-Amino-3,4-Dihydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-1,6,9,14-Tetrahydroxy-11-Methoxy-3-Methyl-8,13-Dioxo-5,6,8,13-Tetrahydrobenzo[A]Tetracen-2-Yl]Carbonyl}Amino)Propanoic Acid

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Formula C34H34N2O14
IUPAC Name (2r)-2-[[(5s,6s)-5-[(2s,3r,4s,5r,6r)-5-amino-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Molecular Mass 694.639 g·mol−1
Heat of Formation -2223.5 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 754.38 Å 3
Surface Area 601.26 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • desxylosyl-benanomicin b
  • dexylosylbenanomicin b
CAS Number(s)
  • 128110-33-8
InChIKey RLAZQZRIYCOWMY-JAULALIESA-N
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