(3E)-4-(3-Acetyl-4,5,7,10-Tetrahydroxy-2-Anthryl)-3-Hydroxy-3-Butenoic Acid

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Properties Simple | Detailed

Formula C20H16O8
IUPAC Name (e)-4-(3-acetyl-4,5,7,10-tetrahydroxy-2-anthryl)-3-hydroxy-but-3-enoic acid
Molecular Mass 384.336 g·mol−1
Heat of Formation -1274.6 ± 16.7 kJ·mol−1
Dipole Moment 9.22 ± 1.08 D
Volume 410.68 Å 3
Surface Area 360.26 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-(3-acetyl-4,5,7,10-tetrahydroxy-2-anthryl)-3-hydroxy-but-3-enoic acid
  • (e)-4-(3-acetyl-4,5,7,10-tetrahydroxy-2-anthryl)-3-hydroxybut-3-enoic acid
  • (e)-4-(3-acetyl-4,5,7,10-tetrahydroxyanthracen-2-yl)-3-hydroxybut-3-enoic acid
  • (e)-4-(3-ethanoyl-4,5,7,10-tetrahydroxy-anthracen-2-yl)-3-hydroxy-but-3-enoic acid
  • 3-butenoic acid, 4-(3-acetyl-4,5,7,10-tetrahydroxy-2-anthracenyl)-3-hydroxy-, (e)-
  • tcm f2
CAS Number(s)
  • 150547-38-9
InChIKey DHOSUPJHLBTMAV-YIXHJXPBSA-N
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