Man(b1-4)[Gal(a1-6)]Man(b1-4)[Gal(a1-6)]Man(b1-4)Man(b1-4)aldehydo-Man

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Basic information

CAS: 86781-72-8
Standard SMILES: O=C[C@@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O)[C@H](O)CO
InChIKey: YQNAHVQTZHBFJE-CVLWRINCSA-N
Molecular formula: C42H72O36
Average molar mass: 1,153 g/mol

Names & identifiers

Preferred name: Man(b1-4)[Gal(a1-6)]Man(b1-4)[Gal(a1-6)]Man(b1-4)Man(b1-4)aldehydo-Man
IUPAC: (2S,3R,4R,5R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
English name: 63,64-A-D- Galactosyl-Mannopentaose
Molecular formula: C42H72O36
Molecular weight: 1153

Names & synonyms

86781-72-8LDA78172?-6?-6(3)-Di-galactosyl-mannopentaose63, 64-α-D-Galactosyl-mannopentaose63,64-A-D- Galactosyl-MannopentaoseD-Mannose, O-α-D-galactopyranosyl-(1→6)-O-[O-α-D-galactopyranosyl-(1→6)-O-[β-D-mannopyranosyl-(1→4)]-β-D-mannopyranosyl-(1→4)]-O-β-D-mannopyranosyl-(1→4)-O-β-D-mannopyranosyl-(1→4)- (9CI)

Database identifiers

CAS: 86781-72-8
Nikkaji: J919.036H

Properties

Computed structural properties

XLogP: -14.6
Topological polar surface area: 593 Å²
Hydrogen bond donors: 23
Hydrogen bond acceptors: 36
Rotatable bonds: 23
Heavy atoms: 78
Formal charge: 0
Complexity: 1,800

Physicochemical properties

Boiling point: 1486.8 · 1486.8±65.0 °C(Predicted)
Density: 1.85 · 1.85±0.1 g/cm3(Predicted)
pka: 12.39 · 12.39±0.20(Predicted)

Related reactions

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Compound notes

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