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

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Properties Simple | Detailed

Formula C34H33NO15
IUPAC Name (2r)-2-[[(5s,6s)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Molecular Mass 695.624 g·mol−1
Heat of Formation -2406.3 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 747.11 Å 3
Surface Area 603.24 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • d-alanine, n-((5-((6-deoxy-beta-d-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5s-trans)-
  • dexylosylbenanomicin a
CAS Number(s)
  • 133806-62-9
InChIKey PRUXMUKWYBVNMB-JAULALIESA-N
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