ChemSpider 2D Image | 1-Thio-D-allose | C6H12O5S

1-Thio-D-allose

  • Molecular FormulaC6H12O5S
  • Average mass196.221 Da
  • Monoisotopic mass196.040543 Da
  • ChemSpider ID24824245
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-Thio-D-allose [ACD/IUPAC Name]
1-Thio-D-allose [German] [ACD/IUPAC Name]
1-Thio-D-allose [French] [ACD/IUPAC Name]
D-Allose, 1-thio- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 560.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.9±6.0 kJ/mol
Flash Point: 293.0±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 44.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.17
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.97
Polar Surface Area: 133 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 110.0±3.0 dyne/cm
Molar Volume: 121.8±3.0 cm3

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