Pgitc

Base Information

• Chemical Name: Pgitc
• CAS No.: 958300-06-6
• Molecular Formula: C27H43NO9S
• Molecular Weight: 557.7
• DSSTox Substance ID: DTXSID90583736
• Mol file: 958300-06-6.mol

Synonyms:958300-06-6;PGITC;DTXSID90583736;2,3,4,6-Tetra-O-pivaloyl-|A-D-glucopyranosyl isothiocyanate;W-201313;2,3,4,6-Tetra-O-pivaloyl- beta -D-glucopyranosyl isothiocyanate;[(2R,3R,4S,5R,6R)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-isothiocyanatooxan-2-yl]methyl 2,2-dimethylpropanoate;2,3,4,6-Tetra-O-pivaloyl-beta-D-glucopyranosyl isothiocyanate, for chiral derivatization, >=95.0% (HPLC);2,3,4,6-Tetrakis-O-(2,2-dimethylpropanoyl)-N-(sulfanylidenemethylidene)-beta-D-glucopyranosylamine

Chemical Property of Pgitc

Chemical Property:

• PSA: 158.88000
• LogP: 4.27710
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 14
• Exact Mass: 557.26585312
• Heavy Atom Count: 38
• Complexity: 944

Purity/Quality:

98%Min ^*data from raw suppliers

2,3,4,6-Tetra-O-pivaloyl-β-D-glucopyranosyl isothiocyanate for chiral derivatization, LiChropur?, ≥95.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OCC1C(C(C(C(O1)N=C=S)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
• Isomeric SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N=C=S)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C