ChemSpider 2D Image | (2S,3R,4R)-5,5-Bis(ethylsulfanyl)-1,2,3,4-pentanetetrol (non-preferred name) | C9H20O4S2

(2S,3R,4R)-5,5-Bis(ethylsulfanyl)-1,2,3,4-pentanetetrol (non-preferred name)

  • Molecular FormulaC9H20O4S2
  • Average mass256.383 Da
  • Monoisotopic mass256.080292 Da
  • ChemSpider ID62969930

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R,4R)-5,5-Bis(ethylsulfanyl)-1,2,3,4-pentanetetrol (non-preferred name) [ACD/IUPAC Name]
(2S,3R,4R)-5,5-Bis(éthylsulfanyl)-1,2,3,4-pentanetétrol (non-preferred name) [French] [ACD/IUPAC Name]
(2S,3R,4R)-5,5-Bis(ethylsulfanyl)-1,2,3,4-pentantetrol (non-preferred name) [German] [ACD/IUPAC Name]
22249-18-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 496.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.0±6.0 kJ/mol
Flash Point: 240.5±27.4 °C
Index of Refraction: 1.583
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 35.76
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 35.76
Polar Surface Area: 132 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 196.6±3.0 cm3

Click to predict properties on the Chemicalize site


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