(1S,4Ar,7R,7As)-1-(α-L-Talopyranosyloxy)-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-7-Carboxylic Acid

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Properties Simple | Detailed

Formula C15H22O9
IUPAC Name (1s,4ar,7r,7as)-1-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid
Molecular Mass 346.330 g·mol−1
Heat of Formation -1665.2 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 386.41 Å 3
Surface Area 312.47 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4ar,7r,7as)-1-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid
  • (1s,4ar,7r,7as)-1-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid
  • (1s,4ar,7r,7as)-1-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid
  • (1s,4ar,7r,7as)-1-[[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid
  • 1-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-1,4a,5,6,7,7a-hexahydro-cyclopenta[c]pyran-7-carboxylic acid
  • cyclopenta[c]pyran-7-carboxylic acid, 1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-, (1s,4ar,7r,7as)-
  • rel-(1r,4as,7s,7ar)-1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid
InChIKey ZUKLFFYDSALIQW-LPQPRLBQSA-N
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