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

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 Formula: C₁₄H₁₇NO₅S
• 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 °C water)
• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.628, Calc.^*
• Melting point: 195.71 °C
• Boiling Point: 472.29 °C, 523.7±50.0 °C (760 mmHg), Calc.^*
• Flash Point: 270.5±30.1 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.