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

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Properties Simple | Detailed

Formula C9H15ClO5
IUPAC Name (3ar,5s,6s,6ar)-5-[(1s)-2-chloro-1-hydroxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
Molecular Mass 238.665 g·mol−1
Heat of Formation -1017.1 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 258.04 Å 3
Surface Area 237.99 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,5s,6s,6ar)-5-[(1s)-2-chloro-1-hydroxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-ol
  • (3ar,5s,6s,6ar)-5-[(1s)-2-chloro-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-ol
  • 1,2-isopropylidene-6-chloro-deoxyglucofuranose
  • alpha-d-glucofuranose, 6-chloro-6-deoxy-1,2,-o-(1-methylethylidene)-
  • icdxg
CAS Number(s)
  • 57569-50-3
InChIKey HKYRYCXJSHWKHQ-OZRXBMAMSA-N
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Elements H C O Cl