4-Nitrophenyl β-D-Mannopyranoside

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Properties Simple | Detailed

Formula C12H15NO8
IUPAC Name (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol
Molecular Mass 301.249 g·mol−1
Heat of Formation -1021.0 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 324.93 Å 3
Surface Area 286.07 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
  • (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6s)-2-methylol-6-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol
  • 4-nitrophenyl-beta-d-mannopyranoside
  • p-nitrophenyl beta-d-mannopyranoside
CAS Number(s)
  • 35599-02-1
InChIKey IFBHRQDFSNCLOZ-LDMBFOFVSA-N
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