4-Methylumbelliferyl 6-thio-palmitate-beta-D-glucopyranoside
Grundinformationen
- CAS
229644-17-1- Standard-SMILES
CCCCCCCCCCCCCCCC(=O)SC[C@H]1O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
XCNUAQFXJPMZLU-GEBXWWPGSA-N- Summenformel
- C32H48O8S
- Durchschnittliche Molmasse
- 592,8 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 4-Methylumbelliferyl 6-thio-palmitate-beta-D-glucopyranoside
- IUPAC
- S-[[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl] hexadecanethioate
- Englischer Name
- 4-Methylumbelliferyl 6-thio-palmitate-β-D-glucopyranoside
- Summenformel
- C32H48O8S
- Molmasse
- 592.79
Namen und Synonyme
229644-17-1Mu-6S-Palm-|A-Glc4-Methylumbelliferyl 6-thio-palmitate-beta-D-glucopyranosideMFCD04039627S-[[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl] hexadecanethioate4-METHYLUMBELLIFERYL 6-THIO-PALMITATE-B-D-GLUCOPYRANOSIDE4-Methylumbelliferyl 6-Thio-palmitate-?-D-glucopyranosideS-(((2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl) hexadecanethioateorb1693082C32H48O8SAKOS027263813EM06650
Weitere Namen anzeigen
Mu-6S-Palm-GlcMu-6S-Palm-b-GlcMu-6S-Palm-β-GlcMU-6S-PALM-BETA-GLC4-Methylumbelliferyl 6-Thio-palmitate--D-glucopyranoside4-Methylumbelliferyl 6-Thio-palmitate-β-D-glucopyranoside4-Methylumbelliferyl 6-thio-palmitate-β-D-glucopyranoside4-Methylumbelliferyl 6-thio-palmitate-β-D-glucopyranoside≥ 98% (HPLC)4-Methyl-7-[[6-S-(1-oxohexadecyl)-6-thio-β-D-glucopyranosyl]oxy]- 2H-1-benzopyran-2-one
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,1
- Polarare Oberfläche (TPSA)
- 148 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 19
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 820
Physikochemische Eigenschaften
- Schmelzpunkt
- 123 · 123-125°C
- Siedepunkt
- 738.127 · 738.127±60.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.186 · 1.186±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Chloroform, DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
- pka
- 12.681 · 12.681±0.70(predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
Chemie und Industrie
Anwendungen
Verwenden4-Methylumbelliferyl 6-thio-Palmitate-β-D-Glucopyranoside is a fluorogenic substrate for the assay of Palmitoyl-Protein Thioesterase, used in the diagnosis of infantile neuronal ceroid lipofuscinosis (INCL)
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