2,4-Dinitrophenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C12H14N2O10
IUPAC Name (2s,3r,4s,5s,6r)-2-(2,4-dinitrophenoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 346.247 g·mol−1
Heat of Formation -1005.6 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 364.93 Å 3
Surface Area 308.45 Å 2
HOMO Energy -10.77 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-(2,4-dinitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-(2,4-dinitrophenoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-(2,4-dinitrophenoxy)-6-methylol-tetrahydropyran-3,4,5-triol
InChIKey XAJUPNGKLHFUED-RMPHRYRLSA-N
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