Loganate

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Properties Simple | Detailed

Formula C16H24O10
IUPAC Name (1s,4as,6s,7r,7as)-6-hydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular Mass 376.356 g·mol−1
Heat of Formation -1845.4 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 419.58 Å 3
Surface Area 354.38 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,6s,7r,7as)-1-(beta-d-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
  • (1s,4as,6s,7r,7as)-6-hydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid
  • (1s,4as,6s,7r,7as)-6-hydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid
  • (1s,4as,6s,7r,7as)-6-hydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid
  • (1s,4as,6s,7r,7as)-6-hydroxy-7-methyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid
  • (1s-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-1-(beta-d-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta(c)pyran-4-carboxylic acid
  • loganic acid
  • sdccgmls-0066805.p001
CAS Number(s)
  • 22255-40-9
InChIKey JNNGEAWILNVFFD-CDJYTOATSA-N
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