ChemSpider 2D Image | 2-Phenylethyl 1-thio-alpha-D-mannopyranoside | C14H20O5S

2-Phenylethyl 1-thio-α-D-mannopyranoside

  • Molecular FormulaC14H20O5S
  • Average mass300.371 Da
  • Monoisotopic mass300.103149 Da
  • ChemSpider ID26392259

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Thio-α-D-mannopyranoside de 2-phényléthyle [French] [ACD/IUPAC Name]
2-Phenylethyl 1-thio-α-D-mannopyranoside [ACD/IUPAC Name]
2-Phenylethyl-1-thio-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside, 2-phenylethyl 1-thio- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 539.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 280.2±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.92
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.92
Polar Surface Area: 115 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 215.8±5.0 cm3

Click to predict properties on the Chemicalize site


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