(3S)-3-Hydroxy-4-(5-Hydroxy-3-Methyl-1,4-Dioxo-1,4-Dihydro-2-Naphthalenyl)Butanoic Acid

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Properties Simple | Detailed

Formula C15H14O6
IUPAC Name (3s)-3-hydroxy-4-(5-hydroxy-3-methyl-1,4-dioxo-2-naphthyl)butanoic acid
Molecular Mass 290.268 g·mol−1
Heat of Formation -942.7 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 324.12 Å 3
Surface Area 285.49 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-hydroxy-4-(5-hydroxy-1,4-diketo-3-methyl-2-naphthyl)butyric acid
  • (3s)-3-hydroxy-4-(5-hydroxy-3-methyl-1,4-dioxo-2-naphthyl)butanoic acid
  • (3s)-3-hydroxy-4-(5-hydroxy-3-methyl-1,4-dioxo-naphthalen-2-yl)butanoic acid
  • (3s)-3-hydroxy-4-(5-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)butanoic acid
  • 2-naphthalenebutanoic acid, 1,4-dihydro-beta,5-dihydroxy-3-methyl-1,4-dioxo-, (s)-
  • juglomycin z
CAS Number(s)
  • 160162-39-0
InChIKey MIJQQLCPVSCPSU-QMMMGPOBSA-N
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