(2S,3aR,4R,5R,6aS)-4-[(1E,3R)-4-(3-Chlorophenoxy)-3-hydroxy-1-buten-1-yl]hexahydro-2H-cyclopenta[b]furan-2,5-diol | CAS No. 99827-98-2

(2S,3aR,4R,5R,6aS)-4-[(1E,3R)-4-(3-Chlorophenoxy)-3-hydroxy-1-buten-1-yl]hexahydro-2H-cyclopenta[b]furan-2,5-diol

Basic Information

CAS Number

99827-98-2

Molecular Formula

C17H21ClO5

Molecular Weight

340.8 g/mol

AD

Basic Physical Properties

c1cc(cc(c1)Cl)OC[C@@H](/C=C/[C@@H]2[C@H]3C[C@H](O[C@H]3C[C@H]2O)O)O

InChI

InChI=1S/C17H21ClO5/c18-10-2-1-3-12(6-10)22-9-11(19)4-5-13-14-7-17(21)23-16(14)8-15(13)20/h1-6,11,13-17,19-21H,7-9H2/b5-4+/t11-,13-,14-,15-,16+,17+/m1/s1

InChIKey

JIJSDAJIYRPEIU-DSNRPXOTSA-N

LogP

1.7402000000000002

Topological Polar Surface Area

79.15 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Synonyms & References

English

  • 2H-Cyclopenta[b]furan-2,5-diol, 4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-, [2S-[2α,3aβ,4β(1E,3S*),5α,6aβ]]- (9CI)
  • (3aR,4R,5R,6aS)-4-((E)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2,5-diol} (N-2)
  • Reaxys ID: 4201770

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