1,1-Dimethylethyl (3S,5S)-6-cyano-3,5-dihydroxyhexanoate

CAS Registry Number®

1105067-92-2
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CAS Name

1,1-Dimethylethyl (3S,5S)-6-cyano-3,5-dihydroxyhexanoate

Molecular Formula

C11H19NO4

Molecular Mass

229.27

Cite this Page

1,1-Dimethylethyl (3S,5S)-6-cyano-3,5-dihydroxyhexanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1105067-92-2 (retrieved 2024-09-10) (CAS RN: 1105067-92-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)7-9(14)6-8(13)4-5-12/h8-9,13-14H,4,6-7H2,1-3H3/t8-,9-/m0/s1

InChIKey

InChIKey=NQTYMGFSEOSJKM-IUCAKERBSA-N

SMILES

[C@@H](CC(OC(C)(C)C)=O)(C[C@H](CC#N)O)O

Canonical SMILES

N#CCC(O)CC(O)CC(=O)OC(C)(C)C

Other Names for this Substance

  • Hexanoic acid, 6-cyano-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3S,5S)-
  • 1,1-Dimethylethyl (3S,5S)-6-cyano-3,5-dihydroxyhexanoate