(5R,6S)-3-(β-D-Glucopyranosyloxy)-1,2,3,6-tetrahydro-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-pyridinecarbonitrile

CAS Registry Number®

81861-72-5

CAS Name

(5R,6S)-3-(β-D-Glucopyranosyloxy)-1,2,3,6-tetrahydro-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-pyridinecarbonitrile

Molecular Formula

C14H20N2O9

Molecular Mass

360.32

Cite this Page

(5R,6S)-3-(β-D-Glucopyranosyloxy)-1,2,3,6-tetrahydro-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-pyridinecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81861-72-5 (retrieved 2024-11-21) (CAS RN: 81861-72-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H20N2O9/c1-16-8(18)3-7(23-2)14(5-15,13(16)22)25-12-11(21)10(20)9(19)6(4-17)24-12/h3,6,9-13,17,19-22H,4H2,1-2H3/t6-,9-,10+,11-,12+,13+,14-/m1/s1

InChIKey

InChIKey=QZRKNNXRNBTODR-JKTRLFLGSA-N

SMILES

O([C@]1(C#N)C(OC)=CC(=O)N(C)[C@H]1O)[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(OC)=CC(=O)N(C)C1O

Other Names for this Substance

  • 3-Pyridinecarbonitrile, 3-(β-D-glucopyranosyloxy)-1,2,3,6-tetrahydro-2-hydroxy-4-methoxy-1-methyl-6-oxo-, (5R,6S)-
  • (5R,6S)-3-(β-D-Glucopyranosyloxy)-1,2,3,6-tetrahydro-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-pyridinecarbonitrile
  • Acalyphin
  • NSC 378984

CAS INSIGHTSTM
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