6-Chloro-1,2-O-1,1-Cyclohexanediyl-6-Deoxy-α-D-Glucofuranose

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Properties Simple | Detailed

Formula C12H19ClO5
IUPAC Name (3ar,5s,6s,6ar)-5-[(1s)-2-chloro-1-hydroxy-ethyl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-ol
Molecular Mass 278.729 g·mol−1
Heat of Formation -1040.8 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 309.28 Å 3
Surface Area 271.67 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy 0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,5s,6s,6ar)-5-[(1s)-2-chloro-1-hydroxy-ethyl]spiro[3a,5,6,6a-tetrahydrofuro[5,4-d][1,3]dioxole-2,1'-cyclohexane]-6-ol
  • (3ar,5s,6s,6ar)-5-[(1s)-2-chloro-1-hydroxyethyl]-6-spiro[3a,5,6,6a-tetrahydrofuro[5,4-d][1,3]dioxole-2,1'-cyclohexane]ol
  • alpha-d-glucofuranose, 6-chloro-1,2-o-cyclohexylidene-6-deoxy-
  • ccdxg
  • cyclohexylidene-6-chloro-deoxyglucofuranose
CAS Number(s)
  • 119637-72-8
InChIKey OWNSLMAOSXCDAQ-RCZSTQMZSA-N
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Elements H C O Cl