Carminic Acid

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Formula C22H20O13
IUPAC Name 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylic acid
Molecular Mass 492.386 g·mol−1
Heat of Formation -2160.2 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 500.86 Å 3
Surface Area 420.15 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-2-anthracenecarboxylic acid
  • 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
  • 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylic acid
  • 3,5,6,8-tetrahydroxy-9,10-diketo-1-methyl-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]anthracene-2-carboxylic acid
InChIKey DGQLVPJVXFOQEV-JNVSTXMASA-N
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