3F-alpha-D-Galactosylraffinose

Base Information

• Chemical Name: 3F-alpha-D-Galactosylraffinose
• CAS No.: 546-35-0
• Molecular Formula: C24H42O21
• Molecular Weight: 666.57768
• DSSTox Substance ID: DTXSID30331475
• Nikkaji Number: J2.745.325B
• Wikidata: Q27105491
• Metabolomics Workbench ID: 68650
• Mol file: 546-35-0.mol

Synonyms:Isolychnose;3F-alpha-D-Galactosylraffinose;546-35-0;C03989;(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol;AC1L98UA;CHEBI:1683;DTXSID30331475;Q27105491;alpha-D-Gal-(1->6)-alpha-D-Glc-(1->2)-beta-D-Fru-(1↔3)-alpha-D-Gal;(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triol;WURCS=2.0/3,4,3/[a2122h-1a_1-5][ha122h-2b_2-5][a2112h-1a_1-5]/1-2-3-3/a1-b2_a6-d1_b3-c1

Chemical Property of 3F-alpha-D-Galactosylraffinose

Chemical Property:

• PSA: 347.83000
• LogP: -9.74720
• XLogP3: -8
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 11
• Exact Mass: 666.22185834
• Heavy Atom Count: 45
• Complexity: 933

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)CO)O)O)O)O)O)O)O
• Isomeric SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CO)O)O)O)O)O)O)O