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ChemSpider 2D Image | 4-(Isothiocyanatomethyl)phenyl 6-deoxyhexopyranoside | C14H17NO5S

4-(Isothiocyanatomethyl)phenyl 6-deoxyhexopyranoside

  • Molecular FormulaC14H17NO5S
  • Average mass311.353 Da
  • Monoisotopic mass311.082733 Da
  • ChemSpider ID11590012

More details:

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.0 g/cm3
Boiling Point: 523.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 83.9±0.0 kJ/mol
Flash Point: 270.5±0.0 °C
Index of Refraction: 1.628
Molar Refractivity: 77.5±0.0 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.02
ACD/KOC (pH 5.5): 318.25
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.02
ACD/KOC (pH 7.4): 318.25
Polar Surface Area: 124 Å2
Polarizability: 30.7±0.0 10-24cm3
Surface Tension: 50.4±0.0 dyne/cm
Molar Volume: 218.4±0.0 cm3

Click to predict properties on the Chemicalize site