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

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

  • Molecular FormulaC20H32O10S2
  • Average mass496.592 Da
  • Monoisotopic mass496.143677 Da
  • ChemSpider ID57266952

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,4S)-4,6-Diacetoxy-5,5-bis(ethylsulfanyl)-1,2,3-hexanetriyl triacetate (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4S)-4,6-Diacetoxy-5,5-bis(ethylsulfanyl)-1,2,3-hexantriyl-triacetat (non-preferred name) [German] [ACD/IUPAC Name]
Triacétate de (2R,3R,4S)-4,6-diacétoxy-5,5-bis(éthylsulfanyl)-1,2,3-hexanetriyle (non-preferred name) [French] [ACD/IUPAC Name]
7621-93-4 [RN]
Penta-O-acetyl-D-fructose diethyldithioacetal

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

Density: 1.2±0.1 g/cm3
Boiling Point: 535.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 252.0±18.1 °C
Index of Refraction: 1.501
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 923.51
ACD/KOC (pH 5.5): 4615.97
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 923.51
ACD/KOC (pH 7.4): 4615.97
Polar Surface Area: 182 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 405.2±3.0 cm3

Click to predict properties on the Chemicalize site


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