Phenyl 6-Chloro-6-Deoxy-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C12H15ClO5
IUPAC Name (2s,3s,4s,5r,6s)-2-(chloromethyl)-6-phenoxy-tetrahydropyran-3,4,5-triol
Molecular Mass 274.698 g·mol−1
Heat of Formation -850.1 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 303.17 Å 3
Surface Area 271.99 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-2-(chloromethyl)-6-(phenoxy)oxane-3,4,5-triol
  • (2s,3s,4s,5r,6s)-2-(chloromethyl)-6-(phenoxy)tetrahydropyran-3,4,5-triol
  • .beta.-d-glucopyranoside, phenyl 6-chloro-6-deoxy-
  • beta-d-glucopyranoside, phenyl 6-chloro-6-deoxy-
CAS Number(s)
  • 58622-61-0
InChIKey BRJPYYRBSYQLEC-RMPHRYRLSA-N
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Elements H C O Cl