ChemSpider 2D Image | 1-Ethoxy-3-(phenylsulfinyl)propyl methyl 2,3,4-tri-O-acetyl-alpha-D-glucopyranosiduronate | C24H32O12S

1-Ethoxy-3-(phenylsulfinyl)propyl methyl 2,3,4-tri-O-acetyl-α-D-glucopyranosiduronate

  • Molecular FormulaC24H32O12S
  • Average mass544.569 Da
  • Monoisotopic mass544.161438 Da
  • ChemSpider ID26577491

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

1-Ethoxy-3-(phenylsulfinyl)propyl methyl 2,3,4-tri-O-acetyl-α-D-glucopyranosiduronate [ACD/IUPAC Name]
1-Ethoxy-3-(phenylsulfinyl)propyl-methyl-2,3,4-tri-O-acetyl-α-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
α-D-Glucopyranosiduronic acid, 1-ethoxy-3-(phenylsulfinyl)propyl, methyl ester, triacetate [ACD/Index Name]
2,3,4-Tri-O-acétyl-α-D-glucopyranosiduronate de 1-éthoxy-3-(phénylsulfinyl)propyle et de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 624.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.3±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.14
ACD/KOC (pH 5.5): 435.63
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.14
ACD/KOC (pH 7.4): 435.63
Polar Surface Area: 169 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 408.5±5.0 cm3

Click to predict properties on the Chemicalize site


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