ChemSpider 2D Image | Ethyl 3-O-allyl-4,6-O-benzylidene-1-thio-beta-D-glucopyranoside | C18H24O5S

Ethyl 3-O-allyl-4,6-O-benzylidene-1-thio-β-D-glucopyranoside

  • Molecular FormulaC18H24O5S
  • Average mass352.445 Da
  • Monoisotopic mass352.134430 Da
  • ChemSpider ID110416043

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

3-O-Allyl-4,6-O-benzylidène-1-thio-β-D-glucopyranoside d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-O-allyl-4,6-O-benzylidene-1-thio-β-D-glucopyranoside [ACD/IUPAC Name]
Ethyl-3-O-allyl-4,6-O-benzyliden-1-thio-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, ethyl 4,6-O-(phenylmethylene)-3-O-2-propen-1-yl-1-thio- [ACD/Index 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: 520.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 268.3±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 542.15
ACD/KOC (pH 5.5): 3152.70
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 542.14
ACD/KOC (pH 7.4): 3152.69
Polar Surface Area: 82 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 284.0±5.0 cm3

Click to predict properties on the Chemicalize site


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