4-Methylumbelliferyl b-D-cellotetraoside
Grundinformationen
- CAS
84325-19-9- Standard-SMILES
Cc1cc(=O)oc2cc(O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)[C@H](O)C5O)[C@H](O)C4O)[C@H](O)C3O)ccc12- InChIKey
VLSZKXHJJYJMLH-VTVLNYHISA-N- Summenformel
- C34H48O23
- Durchschnittliche Molmasse
- 824,7 g/mol
- Monoisotopische Masse
- 824,25863777
Namen und Bezeichner
- Bevorzugter Name
- 4-Methylumbelliferyl b-D-cellotetraoside
- IUPAC
- 7-[(2S,4R,5S)-5-[(2S,4R,5S)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-methylchromen-2-one
- Englischer Name
- 4-Methylumbelliferyl-§-D-cellotetroside
- Summenformel
- C34H48O23
- Molmasse
- 824.73112
Namen und Synonyme
84325-19-94-Methylumbelliferyl b-D-cellotetraoside7-[(2S,4R,5S)-5-[(2S,4R,5S)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-methylchromen-2-one7-(((2S,4R,5S)-5-(((2S,4R,5S)-5-(((2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-methyl-2H-chromen-2-one4-Methylumbelliferyl |A-D-Cellotetroside4-METHYLUMBELLIFERYL BETA-D-CELLOTETROSIDEDTXSID50858114C34H48O23EM04814CS-04560854-Methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-threo-hexopyranosyl-(1->4)-beta-D-threo-hexopyranosyl-(1->4)-beta-D-threo-hexopyranosyl-(1->4)-beta-D-threo-hexopyranoside7-[(2S,4R,5S)-5-[(2S,4R,5S)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-methyl-chromen-2-one
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -7,2
- Polarare Oberfläche (TPSA)
- 363 Ų
- H-Brücken-Donoren
- 13
- H-Brücken-Akzeptoren
- 23
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 57
- Formalladung
- 0
- Komplexität
- 1.360
Physikochemische Eigenschaften
- Schmelzpunkt
- 309 · 309-311°C
- Siedepunkt
- 1148.7 · 1148.7±65.0 °C(Predicted)
- Dichte
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- Water
- Aggregatzustand
- Solid
- pka
- 12.61 · 12.61±0.70(Predicted)
- Farbe
- White to Off-White
Chemie und Industrie
Anwendungen
Verwenden4-Methylumbelliferyl β-D-Cellotetroside (cas# 84325-19-9) is a compound useful in organic synthesis.
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