4-Nitrophenyl β-D-Glucopyranosyl-(1->3)-3-Thio-β-L-Glucopyranosyl-(1->3)-β-L-Allopyranoside

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Properties Simple | Detailed

Formula C24H35NO17S
IUPAC Name 2-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 641.596 g·mol−1
Heat of Formation -2657.4 ± 16.7 kJ·mol−1
Dipole Moment 10.54 ± 1.08 D
Volume 685.1 Å 3
Surface Area 542.9 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
InChIKey VWNONHZCCMYIGR-PQRLTTHHSA-N
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