Methyl (1Ar,1Bs,2S,5Ar,6R,6As)-2-(β-D-Glucopyranosyloxy)-5A,6-Dihydroxy-1A-Methyl-1A,1B,2,5A,6,6A-Hexahydrooxireno[4,5]Cyclopenta[1,2-C]Pyran-5-Carboxylate

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Properties Simple | Detailed

Formula C17H24O12
IUPAC Name methyl (1ar,1bs,2s,5ar,6r,6as)-5a,6-dihydroxy-1a-methyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-c]pyran-5-carboxylate
Molecular Mass 420.365 g·mol−1
Heat of Formation -2007.2 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 453.51 Å 3
Surface Area 373.64 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(beta-d-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid methyl ester. (1ar-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-
  • oxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid, 2-(beta-d-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester. (1ar-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-
CAS Number(s)
  • 117479-87-5
InChIKey XZVXEPPPQBLGMQ-HISQCTEXSA-N
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