ChemSpider 2D Image | Propyl Thiopropyl Alpha-D-Mannopyranoside | C12H24O6S

Propyl Thiopropyl α-D-Mannopyranoside

  • Molecular FormulaC12H24O6S
  • Average mass296.380 Da
  • Monoisotopic mass296.129364 Da
  • ChemSpider ID31135404
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

3-(Propylsulfanyl)propyl α-D-mannopyranoside [ACD/IUPAC Name]
3-(Propylsulfanyl)propyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
Propyl Thiopropyl α-D-Mannopyranoside
α-D-Mannopyranoside de 3-(propylsulfanyl)propyle [French] [ACD/IUPAC Name]
α-D-Mannopyranoside, 3-(propylthio)propyl [ACD/Index Name]
FK9

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

Density: 1.3±0.1 g/cm3
Boiling Point: 495.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 253.6±28.7 °C
Index of Refraction: 1.555
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.02
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.02
Polar Surface Area: 125 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 227.6±5.0 cm3

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