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4-(Isothiocyanatomethyl)phenyl 6-deoxy-α-L-mannopyranoside [73255-40-0]

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Identification
Name 4-(Isothiocyanatomethyl)phenyl 6-deoxy-α-L-mannopyranoside
Synonyms (2S,3R,4R,5R,6S)-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxane-3,4,5-triol
Molecular Structure CAS # 73255-40-0, 4-(Isothiocyanatomethyl)phenyl 6-deoxy-α-L-mannopyranoside, (2S,3R,4R,5R,6S)-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxane-3,4,5-triol
Molecular Weight 311.35
CAS Registry Number 73255-40-0
SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CN=C=S)O)O)O
 
Properties
Solubility 1734 mg/L (25 ºC water)
Density 1.4±0.1 g/cm3, Calc.*
Index of Refraction 1.628, Calc.*
Melting point 195.71 ºC
Boiling Point 472.29 ºC, 523.7±50.0 ºC (760 mmHg), Calc.*
Flash Point 270.5±30.1 ºC, Calc.*
 
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
 
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