(1As,1Bs,2S,5Ar,6S,6As)-6-Hydroxy-1A-(Hydroxymethyl)-1A,1B,2,5A,6,6A-Hexahydrooxireno[4,5]Cyclopenta[1,2-C]Pyran-2-Yl 6-O-[(2E)-3-Phenyl-2-Propenoyl]-β-D-Glucopyranoside

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Formula C22H6O11
IUPAC Name [(2r,3s,4s,5r,6s)-6-[[(1as,1bs,2s,5ar,6s,6as)-6-hydroxy-1a-(hydroxymethyl)-2,5a,6,6a-tetrahydro-1bh-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (e)-3-phenylprop-2-enoate
Molecular Mass 446.276 g·mol−1
Heat of Formation -1641.5 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 551.18 Å 3
Surface Area 437.13 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • beta-d-glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, 6-(3-phenyl-2-propenoate), (1as-(1aalpha,1bbeta,2beta(e),5abeta,6beta,6aalpha))-
CAS Number(s)
  • 27409-30-9
InChIKey XZGPUOQGERGURE-LUVHZPKESA-N
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