AMAROGENTIN Structure

AMAROGENTIN

Chemical Properties

Melting point 229-230° (monohydrate)
alpha  D20 -116.6° (methanol)
Boiling point 928.5±65.0 °C(Predicted)
Density  1.59±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMF: 1 mg/ml; DMSO: 2 mg/ml; PBS (pH 7.2): 0.1 mg/ml
form  A crystalline solid
pka 7.42±0.40(Predicted)
color  White to off-white
Major Application food and beverages
InChIKey FWSMZQZCMSGCCU-WKYWRJDANA-N
SMILES [C@@]12([H])CCOC(=O)C1=CO[C@@H](OC[C@@H]1[C@@H](O)[C@@H]([C@@H](O)[C@H](OC(=O)C3=CC(=C(C4C=CC=C(O)C=4)C(O)=C3)O)O1)O)[C@@H]2C=C |&1:0,10,13,14,16,17,19,40,r|
LogP 2.503 (est)
FDA UNII 5L82GT5I0W
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
NFPA 704:
0
2 0

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