ChemSpider 2D Image | 1-S-(Carboxymethyl)-1-thio-beta-D-fructopyranose | C8H14O7S

1-S-(Carboxymethyl)-1-thio-β-D-fructopyranose

  • Molecular FormulaC8H14O7S
  • Average mass254.258 Da
  • Monoisotopic mass254.046021 Da
  • ChemSpider ID25058601
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-S-(Carboxymethyl)-1-thio-β-D-fructopyranose [ACD/IUPAC Name]
1-S-(Carboxymethyl)-1-thio-β-D-fructopyranose [German] [ACD/IUPAC Name]
1-S-(Carboxyméthyl)-1-thio-β-D-fructopyranose [French] [ACD/IUPAC Name]
β-D-Fructopyranose, 1-S-(carboxymethyl)-1-thio- [ACD/Index Name]
FSA

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

Density: 1.7±0.1 g/cm3
Boiling Point: 514.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.5±6.0 kJ/mol
Flash Point: 265.0±30.1 °C
Index of Refraction: 1.665
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -3.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 90.9±3.0 dyne/cm
Molar Volume: 146.5±3.0 cm3

Click to predict properties on the Chemicalize site






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