L-(+)-Ergothioneine
Bezeichnung:L-(+)-Ergothioneine
CAS-Nr497-30-3
Englisch Name:L-(+)-Ergothioneine
CBNumberCB8460398
SummenformelC9H15N3O2S
Molgewicht229.3
MOL-Datei497-30-3.mol
Synonyma
(S)-[1-Carboxy-2-(2-mercaptoimidazol-4-yl)ethyl]trimethylammoniumhydroxid
L-(+)-Ergothioneine
L-(+)-Ergothioneine physikalisch-chemischer Eigenschaften
Schmelzpunkt | 275-277°C (dec.) |
Dichte | 1.2541 (rough estimate) |
Brechungsindex | 1.6740 (estimate) |
storage temp. | -20°C |
Löslichkeit | Soluble in Water (up to 10 mg/ml) |
Aggregatzustand | White solid. |
pka | 1.706±0.32(predicted) |
Farbe | White or off-white |
PH | +47^o (c=1 in water) |
Biologische Quelle | fungus (Actinomycetales) fungus (Ascomycota) fungus (Basidiomycota) |
Wasserlöslichkeit | water: 50mg/mL, clear, colorless |
Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in water may be stored at -20°C for no more then 1 day. |
InChI | InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/s3 |
InChIKey | SSISHJJTAXXQAX-KPOCXSGKNA-N |
SMILES | [N+](C)(C)(C)[C@@H](CC1=CNC(S)=N1)C([O-])=O |&1:4,r| |
EPA chemische Informationen | 1H-Imidazole-4-ethanaminium, .alpha.-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, inner salt, (.alpha.S)- (497-30-3) |