(2R,3R,4R,5R)-4-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal

Base Information

• Chemical Name: (2R,3R,4R,5R)-4-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal
• CAS No.: 41744-59-6
• Molecular Formula: C₁₈H₃₂O₁₆
• Molecular Weight: 504.442
• Wikidata: Q106055244
• Metabolomics Workbench ID: 38964
• Mol file: 41744-59-6.mol

Synonyms:Globoisotriaose;CHEBI:165246;alpha-D-Galp-(1-4)-beta-D-Galp-(1-4)-D-Glc;alpha-delta-Galp-(1-4)-beta-delta-Galp-(1-4)-delta-Glc;O-alpha-D-galactopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Glucose;O-alpha-delta-galactopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)- D-Glucose;(2R,3R,4R,5R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal;(2R,3R,4R,5R)-4-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal

Chemical Property of (2R,3R,4R,5R)-4-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal

Chemical Property:

• XLogP3: -6
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 502.18977037
• Heavy Atom Count: 34
• Complexity: 625

Purity/Quality:

98% ^*data from raw suppliers

Gala1-3Galb1-4Glc ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(C(C(C1OC2C(C(OC(C2O)OC(C(CO)O)C(C(C=O)O)O)CO)O)O)O)O)CO
• Isomeric SMILES: C1[C@@H]([C@@H]([C@@H]([C@H]([C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O)CO