152-95-4

Name Sophoricoside
CAS 152-95-4
Molecular Formula C21H20O10
MDL Number MFCD01075138
Molecular Weight 432.38
MOL File 152-95-4.mol
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Chemical Properties

Melting point  298°
alpha  D20 -47° (pyridine); D20 -32° (10% aq pyridine)
Boiling point  466.08°C (rough estimate)
density  1.3597 (rough estimate)
refractive index  1.5376 (estimate)
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
solubility  Aqueous Base (Slightly), DMSO (Slightly, Heated), Pyridine (Slightly, Sonicated)
form  Solid
pka 6.45±0.20(Predicted)
color  White to Light Brown
λmax 271nm(MeOH)(lit.)
Detection Methods HPLC,NMR
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChIKey ISQRJFLLIDGZEP-JNAFRSBINA-N
SMILES C12C(O)=CC(O)=CC=1OC=C(C1C=CC(O[C@H]3[C@H](O)[C@H]([C@H](O)[C@@H](CO)O3)O)=CC=1)C2=O |&1:16,17,19,20,22,r|
CAS DataBase Reference 152-95-4(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
Safety Statements 
WGK Germany  WGK 3
HS Code  29329990
Storage Class 11 - Combustible Solids

Hazard Information

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