(1S,4S,5R)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile

CAS Registry Number®

14332-17-3

CAS Name

(1S,4S,5R)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile

Molecular Formula

C12H17NO8

Molecular Mass

303.27

Cite this Page

(1S,4S,5R)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14332-17-3 (retrieved 2024-12-24) (CAS RN: 14332-17-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165-166 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H17NO8/c13-4-12(2-1-5(15)10(12)19)21-11-9(18)8(17)7(16)6(3-14)20-11/h1-2,5-11,14-19H,3H2/t5-,6+,7+,8-,9+,10+,11-,12-/m0/s1

InChIKey

InChIKey=HASDUOHKNMHNJA-WTGJLRKRSA-N

SMILES

O([C@@]1(C#N)[C@H](O)[C@@H](O)C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

N#CC1(OC2OC(CO)C(O)C(O)C2O)C=CC(O)C1O

Other Names for this Substance

  • 2-Cyclopentene-1-carbonitrile, 1-(β-D-glucopyranosyloxy)-4,5-dihydroxy-, (1S,4S,5R)-
  • 2-Cyclopentene-1-carbonitrile, 1-(β-D-glucopyranosyloxy)-4,5-dihydroxy-
  • Glucopyranoside, 1-cyano-4,5-dihydroxy-2-cyclopenten-1-yl, β-D-
  • (1S,4S,5R)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile
  • Gynocardin

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Deleted or Replaced CAS Registry Numbers

1399-66-2

CAS INSIGHTSTM
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