ChemSpider 2D Image | (2S,3S,4R,5R)-4,5-Diacetoxy-6,6-bis(ethylsulfanyl)-1,2,3-hexanetriyl triacetate (non-preferred name) | C20H32O10S2

(2S,3S,4R,5R)-4,5-Diacetoxy-6,6-bis(ethylsulfanyl)-1,2,3-hexanetriyl triacetate (non-preferred name)

  • Molecular FormulaC20H32O10S2
  • Average mass496.592 Da
  • Monoisotopic mass496.143677 Da
  • ChemSpider ID110092186

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5R)-4,5-Diacetoxy-6,6-bis(ethylsulfanyl)-1,2,3-hexanetriyl triacetate (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4R,5R)-4,5-Diacetoxy-6,6-bis(ethylsulfanyl)-1,2,3-hexantriyl-triacetat (non-preferred name) [German] [ACD/IUPAC Name]
Triacétate de (2S,3S,4R,5R)-4,5-diacétoxy-6,6-bis(éthylsulfanyl)-1,2,3-hexanetriyle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 542.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 256.2±18.1 °C
Index of Refraction: 1.500
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 447.93
ACD/KOC (pH 5.5): 2750.05
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 447.93
ACD/KOC (pH 7.4): 2750.05
Polar Surface Area: 182 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 405.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement