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534-67-8

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534-67-8 Structure

534-67-8 Structure
IdentificationBack Directory
[Name]

LOTAUSTRALIN
[CAS]

534-67-8
[Synonyms]

LOTAUSTRALIN
(R)-Lotaustralin
2-(-D-Glucopyranosyloxy)-2-methylbutyronitrile
2-(b-D-Glucopyranosyloxy)-2-methylbutyronitrile
2-(BETA-D-GLUCOPYRANOSYLOXY)-2-METHYLBUTYRONITRILE
(2R)-2-(β-D-Glucopyranosyloxy)-2-methylbutanenitrile
(2R)-2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
(2R)-2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-butanenitrile
(2R)-2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-butyronitrile
[Molecular Formula]

C11H19NO6
[MDL Number]

MFCD02683351
[MOL File]

534-67-8.mol
[Molecular Weight]

261.27
Chemical PropertiesBack Directory
[Appearance]

Oil Foam
[Melting point ]

106 - 109°C
[Boiling point ]

479.066±45.00 °C(Press: 760.00 Torr)(predicted)
[density ]

1.364±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly, Heated, Sonicated)
[form ]

Solid
[pka]

12.727±0.70(predicted)
[color ]

White to Pale Yellow
[Stability:]

Hygroscopic
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3/t6-,7-,8+,9-,10+,11/m1/s1
[InChIKey]

WEWBWVMTOYUPHH-GXUZYPEDSA-N
[SMILES]

O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC(C#N)(CC)C)O
[CAS DataBase Reference]

534-67-8
Hazard InformationBack Directory
[Chemical Properties]

Oil Foam
[Uses]

A bioactive constituent of Chinese natural medicines
[Definition]

ChEBI: Lotaustralin is a cyanogenic glycoside.
[General Description]

Natural product derived from plant source.
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
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