beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-deoxy-2-(methylamino)-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
Grundinformationen
- CAS
64003-52-7- Standard-SMILES
CN[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O- InChIKey
NUWXPVRSEMKSHK-FNMUCCOLSA-N- Summenformel
- C39H68N2O30
- Durchschnittliche Molmasse
- 1.045 g/mol
- Monoisotopische Masse
- 1.044,38568876
Namen und Bezeichner
- Bevorzugter Name
- beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-deoxy-2-(methylamino)-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
- IUPAC
- N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-[[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
- Englischer Name
- Lacto-N-neohexaose (LNnH)
- Summenformel
- C40H68N2O31
- Molmasse
- 1072.96
Namen und Synonyme
SCHEMBL31694311DTXSID20849635beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-deoxy-2-(methylamino)-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranoseLacto-N-neohexaose (LNnH)D-Glucose, O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-O-beta-D-Galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-O-[O-beta-D-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-6)]-O-beta-D-galactopyranosyl-(1-4)-D-glucose
Datenbank-Bezeichner
- CAS
64003-52-7- PubChem CID
- 71434236
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -12,5
- Polarare Oberfläche (TPSA)
- 507 Ų
- H-Brücken-Donoren
- 20
- H-Brücken-Akzeptoren
- 31
- Frei drehbare Bindungen
- 18
- Schwere Atome
- 71
- Formalladung
- 0
- Komplexität
- 1.650
Physikochemische Eigenschaften
- Siedepunkt
- 1480.426 · 1480.426±65.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.742 · 1.742±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.395 · 12.395±0.20(predicted)
Chemie und Industrie
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