Pelagiomicin A

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Properties Simple | Detailed

Formula C20H21N3O6
IUPAC Name 6-[[(2s)-2-amino-3-hydroxy-3-methyl-butanoyl]oxymethyl]-9-methoxy-phenazine-1-carboxylic acid
Molecular Mass 399.397 g·mol−1
Heat of Formation -783.0 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 451.9 Å 3
Surface Area 372.1 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -2.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxy-l-valine (6-carboxy-4-methoxy-1-phenazinyl)methyl ester
  • 6-[[(2s)-2-amino-3-hydroxy-3-methyl-1-oxobutoxy]methyl]-9-methoxy-1-phenazinecarboxylic acid
  • 6-[[(2s)-2-amino-3-hydroxy-3-methyl-butanoyl]oxymethyl]-9-methoxy-phenazine-1-carboxylic acid
  • 6-[[(2s)-2-amino-3-hydroxy-3-methylbutanoyl]oxymethyl]-9-methoxyphenazine-1-carboxylic acid
  • antibiotic 2088a
  • l-valine, 3-hydroxy-, (6-carboxy-4-methoxy-1-phenazinyl)methyl ester
  • ll-14i352-alpha
CAS Number(s)
  • 173485-80-8
InChIKey SFUOAUKIPVZJLK-QGZVFWFLSA-N
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