4-Nitrophenyl α-D-Mannopyranoside

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Properties Simple | Detailed

Formula C12H15NO8
IUPAC Name (2r,3s,4s,5s,6r)-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol
Molecular Mass 301.249 g·mol−1
Heat of Formation -1038.1 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 321.37 Å 3
Surface Area 286.9 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5s,6r)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-methylol-6-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol
  • 4'-nitrophenyl-alpha-d-mannopyranoside
InChIKey IFBHRQDFSNCLOZ-GCHJQGSQSA-N
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