CAS | 2492-87-7 |
Structure | |
Synonyms | beta-D-glucopyranoside,4-nitrophenyl |
IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol |
Molecular Weight | 301.25 |
Molecular Formula | C12H15NO8 |
Canonical SMILES | C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
InChI | InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 |
InChI Key | IFBHRQDFSNCLOZ-RMPHRYRLSA-N |
Boiling Point | 582.2ºC at 760 mmHg |
Melting Point | 165-168 °C |
Flash Point | 305.9ºC |
Purity | 98% |
Density | 1.37 g/ml |
Refractive Index | -102.5 ° (C=1, H₂O) |
pKa | 12.55±0.70 |
Solubility in Water | Sligthly |
Appearance | White to yellow powder |
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