Product Information
Chemical Formula: | C16H18BrClN2O6 |
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Molecular Weight: | 449.69 |
Synonyms: | x-beta-d-glcnac; x-glunac; x-glcnac; x-n-acetyl-glucosaminide; x-n-acetyl-beta-d-glucosaminide; 5-bromo-4-chloro-3-indolyl-n-acetyl-beta-d-glucosaminide; 5-bromo-4-chloro-3-indolyl 2-acetamido-2-deoxy-beta-d-glucopyranoside; 5-bromo-4-chloro-3-indoxyl-n-acetyl-beta-d-glucosaminide |
MDL No.: | MFCD00040631 |
EINECS / EC No.: | N/A |
Pubchem CID: | 2733915 |
IUPAC Name: | N-[(2S,3R,4R,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
Standard InchI: | InChI=1S/C16H18BrClN2O6/c1-6(22)20-13-15(24)14(23)10(5-21)26-16(13)25-9-4-19-8-3-2-7(17)12(18)11(8)9/h2-4,10,13-16,19,21,23-24H,5H2,1H3,(H,20,22)/t10-,13-,14-,15-,16-/m1/s1 |
InchI Key: | SUWPNTKTZYIFQT-XZINFULNSA-N |
SMILES: | CC(=O)NC1C(C(C(OC1OC2=CNC3=C2C(=C(C=C3)Br)Cl)CO)O)O |
Appearance: | White to off-white crystalline powder |
Melting Point (°C): | 240 (lit.) |
Boiling Point: | 777.463 °C at 760 mmHg |
Density (Theoretical): | 1.786 g/cm3 |
Solubility: | DMF: soluble |
Refractive Index: | 1.702 |
Safety Information
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