ChemSpider 2D Image | Methyl 5-S-octyl-5-thio-beta-D-arabinofuranoside | C14H28O4S

Methyl 5-S-octyl-5-thio-β-D-arabinofuranoside

  • Molecular FormulaC14H28O4S
  • Average mass292.435 Da
  • Monoisotopic mass292.170837 Da
  • ChemSpider ID24686749

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5-S-Octyl-5-thio-β-D-arabinofuranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 5-S-octyl-5-thio-β-D-arabinofuranoside [ACD/IUPAC Name]
Methyl-5-S-octyl-5-thio-β-D-arabinofuranosid [German] [ACD/IUPAC Name]
β-D-Arabinofuranoside, methyl 5-S-octyl-5-thio- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL446057/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 429.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±6.0 kJ/mol
Flash Point: 213.5±28.7 °C
Index of Refraction: 1.511
Molar Refractivity: 79.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.96
ACD/KOC (pH 5.5): 1631.37
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.96
ACD/KOC (pH 7.4): 1631.36
Polar Surface Area: 84 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 264.7±5.0 cm3

Click to predict properties on the Chemicalize site


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