{(1R,2R)-2-[(2Z)-5-(β-D-Glucopyranosyloxy)-2-Penten-1-Yl]-3-Oxocyclopentyl}Acetic Acid

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Properties Simple | Detailed

Formula C18H28O9
IUPAC Name 2-[(1r,2r)-3-oxo-2-[(z)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
Molecular Mass 388.410 g·mol−1
Heat of Formation -1718.9 ± 16.7 kJ·mol−1
Dipole Moment 1.33 ± 1.08 D
Volume 469.56 Å 3
Surface Area 352.73 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy 0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1r,2r)-3-keto-2-[(z)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
  • 2-[(1r,2r)-3-oxo-2-[(z)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
  • 2-[(1r,2r)-3-oxo-2-[(z)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]ethanoic acid
  • 2-[(1r,2r)-3-oxo-2-[(z)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
  • 2-[(1r,2r)-3-oxo-2-[(z)-5-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]pent-2-enyl]cyclopentyl]acetic acid
  • tuberonic acid glucoside
CAS Number(s)
  • 120399-24-8
InChIKey JFDNMLUPLXZXGV-RKAGECJXSA-N
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