CAS | 15548-60-4 |
Structure | |
Synonyms | 4-Chloro-5-bromo-1H-indole-3-yl β-D-glucopyranoside |
IUPAC Name | (2S,3R,4S,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
Molecular Weight | 408.63 |
Molecular Formula | C14H15BrClNO6 |
Canonical SMILES | C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br |
InChI | InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13-,14-/m1/s1 |
InChI Key | OPIFSICVWOWJMJ-LNNRFACYSA-N |
Boiling Point | 673.9±55.0 °C |
Melting Point | 249-251 °C |
Purity | 98% |
Density | 1.882±0.06 g/ml |
pKa | 12.74±0.70 |
Appearance | Solid |
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