ChemSpider 2D Image | Dimethyl 2,3,4-tri-O-acetyl-1-thio-beta-D-galactopyranosiduronate | C14H20O9S

Dimethyl 2,3,4-tri-O-acetyl-1-thio-β-D-galactopyranosiduronate

  • Molecular FormulaC14H20O9S
  • Average mass364.368 Da
  • Monoisotopic mass364.082794 Da
  • ChemSpider ID28296127

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

129541-34-0 [RN]
Dimethyl 2,3,4-tri-O-acetyl-1-thio-β-D-galactopyranosiduronate [ACD/IUPAC Name]
Dimethyl-2,3,4-tri-O-acetyl-1-thio-β-D-galactopyranosiduronat [German] [ACD/IUPAC Name]
β-D-Galactopyranosiduronic acid, methyl 1-thio-, methyl ester, triacetate [ACD/Index Name]
2,3,4-Tri-O-acétyl-1-thio-β-D-galactopyranosiduronate de diméthyle [French] [ACD/IUPAC Name]
Methyl 2,3,4-tri-O-acetyl-b-D-thiogalacturonide methyl ester
Methyl 2,3,4-tri-O-acetyl-β-D-thiogalactopyranosiduronic acid methyl ester
METHYL2,3,4-TRI-O-ACETYL-β-D-THIOGALACTOPYRANOSIDURONICACIDMETHYLESTER
MFCD00080804

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

Density: 1.3±0.1 g/cm3
Boiling Point: 418.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 194.7±16.7 °C
Index of Refraction: 1.504
Molar Refractivity: 81.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.10
ACD/KOC (pH 5.5): 169.08
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.10
ACD/KOC (pH 7.4): 169.08
Polar Surface Area: 140 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 276.6±5.0 cm3

Click to predict properties on the Chemicalize site


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