(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

Base Information

• Chemical Name: (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
• CAS No.: 125760-33-0
• Molecular Formula: C₄₅H₅₄N₂O₂₁
• Molecular Weight: 958.925
• DSSTox Substance ID: DTXSID401099486
• Nikkaji Number: J877.116B

Synonyms:125760-33-0;(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;DTXSID401099486;MFCD00167470;A935255;Fmoc-Thr[alpha-(Gal-beta(1-3)-GalNAc)]-OH peracetate;(2S,3R)-3-[(2S,3R,4R,5R,6R)-5-Acetoxy-6-acetoxymethyl-3-acetylamino-4-((2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-butyric acid;L-Threonine, O-[4,6-di-O-acetyl-2-(acetylamino)-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-|A-D-galactopyranosyl)-|A-D-galactopyranosyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-;O-[3-O-(2-O,3-O,4-O,6-O-Tetraacetyl-beta-D-galactopyranosyl)-4-O,6-O-diacetyl-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl]-N-(9H-fluorene-9-ylmethoxycarbonyl)-L-threonine;O-[4,6-Di-O-acetyl-2-(acetylamino)-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-alpha-D-galactopyranosyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonine

Chemical Property of (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 25
• Exact Mass: 958.32190674
• Heavy Atom Count: 68
• Complexity: 1820

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
• Isomeric SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

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