(2S)-5-(β-D-Glucopyranosyloxy)-7-Hydroxy-1,2,3,4-Tetrahydro-2-Naphthalenecarboxylic Acid

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Properties Simple | Detailed

Formula C17H22O9
IUPAC Name (2s)-7-hydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetralin-2-carboxylic acid
Molecular Mass 370.351 g·mol−1
Heat of Formation -1636.5 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 411.29 Å 3
Surface Area 333.14 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-7-hydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
  • (2s)-7-hydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetralin-2-carboxylic acid
  • (2s)-7-hydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetralin-2-carboxylic acid
  • (2s)-7-hydroxy-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetralincarboxylic acid
  • 17-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid 5-beta-d-glucoside
  • 2-naphthalenecarboxylic acid, 5-(beta-d-glucopyranosyloxy)-1,2,3,4-tetrahydro-7-hydroxy-, (s)-
  • aceratioside
CAS Number(s)
  • 133084-09-0
InChIKey LZKGKUKUSQNWFR-DTGGDYGMSA-N
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