Acarbose impurity F

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 83116-09-0
Standard-SMILES: C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: SLGABGHEBCWPDM-PUCACGQMNA-N
Summenformel: C31H53NO23
Durchschnittliche Molmasse: 807,7 g/mol
Monoisotopische Masse: 807,30083694

Namen und Bezeichner

Bevorzugter Name: Acarbose impurity F
IUPAC: (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
Englischer Name: α-D-Glucosyl Acarbose IMpurity
Summenformel: C31H53NO23
Molmasse: 807.75

Namen und Synonyme

K48LU8EVD5ACARBOSE IMPURITY FAcarbose impurity F [EP]UNII-K48LU8EVD5Acarbose impurity F [USP]ACARBOSE IMPURITY F [EP IMPURITY]ACARBOSE IMPURITY F [USP IMPURITY]D-GLUCOSE, O-4,6-DIDEOXY-4-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-D-Glucose, O-4,6-dideoxy-4-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-alpha-D-glucopyranosyl-(1->4)-o-alpha-D-glucopyranosyl-(1->4)-o-alpha-D-glucopyranosyl-(1->4)-O-4,6-DIDEOXY-4-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-ENYL)AMINO)-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-D-GLUCOPYRANOSE (4-O-.ALPHA.-ACARBOSYL-D-GLUCOPYRANOSE)O-4,6-dideoxy-4-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-enyl)amino)-alpha-D-glucopyranosyl-(1->4)-o-alpha-D-glucopyranosyl-(1->4)-o-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose (4-o-alpha-acarbosyl-D-glucopyranose)Acarbose Impurity 6

Weitere Namen anzeigen

α-D-Glucosyl Acarbose IMpurityα-D-Glucosyl Acarbose IMpurity DiscontinuedD-Glucose, O-4,6-dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-"O-4,6-dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy- 3-(hydroxymethyl)cyclohex-2-enyl]amino]-α-Dglucopyranosyl-( 1→4)-O-α-D-glucopyranosyl-(1→4)- O-α-D-glucopyranosyl-(1→4)-D-glucopyranose"(3R,4R,5S,6R)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)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)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol

Datenbank-Bezeichner

CAS: 83116-09-0
PubChem CID: 131885658
UNII: K48LU8EVD5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -11
Polarare Oberfläche (TPSA): 408 Å²
H-Brücken-Donoren: 17
H-Brücken-Akzeptoren: 24
Frei drehbare Bindungen: 16
Schwere Atome: 55
Formalladung: 0
Komplexität: 1.240

Physikochemische Eigenschaften

Siedepunkt: 1196.6 · 1196.6±65.0 °C(Predicted)
Dichte: 1.74 · 1.74±0.1 g/cm3(Predicted)
pka: 12.39 · 12.39±0.20(Predicted)
InChIKey: SLGABGHEBCWPDM-PUCACGQMNA-N

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwendenα-D-Glucosyl Acarbose IMpurity is an homolog of Acarbose (A123500) for use in the treatment of chronic diseases such as inflammatory (including allergic) diseases, metastatic cancers and infection by pathogenic agents including bacteria, viruses or parasites. Acarbose impurity F.

Zugehörige Reaktionen

Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Notizen zur Verbindung

Wird geladen…