Difucosyllactose
Grundinformationen
- CAS
34852-43-2- Standard-SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O- InChIKey
LKOHREGGXUJGKC-GXSKDVPZSA-N- Summenformel
- C24H42O19
- Durchschnittliche Molmasse
- 634,6 g/mol
- Monoisotopische Masse
- 634,23202911
Überblick
Alpha-L-Fucp-(1->3)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)]-beta-D-Glcp is a tetrasaccharide that is beta-lactose in which the hydroxy groups at the 3 and 2' positions have each been glycosylated by an alpha-L-fucosyl group. It is an alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-Glcp and a tetrasaccharide. It is functionally related to a beta-lactose and an alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-Glcp.
Namen und Bezeichner
- Bevorzugter Name
- Difucosyllactose
- IUPAC
- (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- Englischer Name
- β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-
- Summenformel
- C24H42O19
- Molmasse
- 634.58
Namen und Synonyme
difucosyllactose5258BH9L9F34852-43-2RefChem:200565GlyTouCan:G05337KJG05337KJUNII-5258BH9L9Fbeta-D-Glucopyranose, O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-o-beta-D-galactopyranosyl-(1->4)-O-(6-deoxy-alpha-L-galactopyranosyl-(1->3))-O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-o-beta-D-galactopyranosyl-(1->4)-O-(6-deoxy-alpha-L-galactopyranosyl-(1->3))-beta-D-glucopyranoseCHEBI:146804Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]b-Glcalpha-L-Fucp-(1->3)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)]-beta-D-Glcp
Weitere Namen anzeigen
DFL+2’-FLMilk oligosaccharidesBreast milk oligosaccharidesβ-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-
(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-5,6-Dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.BETA.-D-GLUCOPYRANOSE, O-6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL-(1->2)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-O-(6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL-(1->3))-6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-beta-D-gluco-hexopyranose6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-beta-D-glucopyranosealpha-L-fucopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-beta-D-glucopyranoseO-6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL-(1->2)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-O-(6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL-(1->3))-.BETA.-D-GLUCOPYRANOSEWURCS=2.0/3,4,3/[a2122h-1b_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-2/a3-b1_a4-c1_c2-d1
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -6,9
- Polarare Oberfläche (TPSA)
- 307 Ų
- H-Brücken-Donoren
- 12
- H-Brücken-Akzeptoren
- 19
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 43
- Formalladung
- 0
- Komplexität
- 886
Physikochemische Eigenschaften
- Siedepunkt
- 930.8 · 930.8±65.0 °C(Predicted)
- Dichte
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- pka
- 11.89 · 11.89±0.70(Predicted)
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