4-Azidophenyl 6-Chloro-6-Deoxy-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C12H14ClN3O5
IUPAC Name (2s,3r,4s,5s,6s)-2-(4-azidophenoxy)-6-(chloromethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 315.710 g·mol−1
Heat of Formation -528.6 ± 16.7 kJ·mol−1
Dipole Moment 5.64 ± 1.08 D
Volume 340.07 Å 3
Surface Area 305.21 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6s)-2-(4-azidophenoxy)-6-(chloromethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6s)-2-(4-azidophenoxy)-6-(chloromethyl)tetrahydropyran-3,4,5-triol
  • 4-azidophenyl-6-chloro-6-deoxy-beta-glucopyranoside
  • apcdgp
  • beta-d-glucopyranoside, 4-azidophenyl 6-chloro-6-deoxy-
  • p-azidophenyl-6-chloro-6-deoxy-beta-d-glucopyranoside
  • para-azidophenyl-6-chloro-6-deoxy-beta-d-glucopyranoside
CAS Number(s)
  • 75871-51-1
InChIKey WWMGAQUXQNEPDE-RMPHRYRLSA-N
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Elements H C N O Cl