(1As,1Bs,2S,5Ar,6S,6As)-2-(β-D-Glucopyranosyloxy)-1A-(Hydroxymethyl)-1A,1B,2,5A,6,6A-Hexahydrooxireno[4,5]Cyclopenta[1,2-C]Pyran-6-Yl 3,4-Dimethoxybenzoate

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Properties Simple | Detailed

Formula C20H14O13
IUPAC Name formaldehyde; (2s)-2-[[4-methoxy-1-(oxomethylene)-4ah-pyrano[3,4-c]pyran-8-yl]oxy]-6-(oxomethylene)tetrahydropyran-3,4,5-trione; prop-1-yne-1,3-diol
Molecular Mass 462.317 g·mol−1
Heat of Formation -1987.1 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 579.61 Å 3
Surface Area 489.09 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 56973-43-4
InChIKey JPLOCWOFCUFHBG-PIAIVMLOSA-N
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