ChemSpider 2D Image | alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-O(CH2)2S(CH2)2CO2Me | C24H42O18S

α-D-Galp-(1->4)-β-D-Galp-(1->4)-β-D-Glcp-O(CH2)2S(CH2)2CO2Me

  • Molecular FormulaC24H42O18S
  • Average mass650.644 Da
  • Monoisotopic mass650.209167 Da
  • ChemSpider ID26332953

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

3-[(2-{[α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}éthyl)sulfanyl]propanoate de méthyle [French] [ACD/IUPAC Name]
90214-81-6 [RN]
Methyl 3-[(2-{[α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}ethyl)sulfanyl]propanoate [ACD/IUPAC Name]
Methyl-3-[(2-{[α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}ethyl)sulfanyl]propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[[2-[[O-α-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]ethyl]thio]-, methyl ester [ACD/Index Name]
α-D-Galp-(1->4)-β-D-Galp-(1->4)-β-D-Glcp-O(CH2)2S(CH2)2CO2Me
2-(2-methoxycarbonylethylthio)ethyl α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside
Galalpha1-4Galbeta1-4Glcbeta-O-CETE
methyl 3-[(2-{[α-D-galactosyl-(1->4)-β-D-galactosyl-(1->4)-β-D-glucosyl]oxy}ethyl)sulfanyl]propanoate
missing
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  • Miscellaneous

    • Chemical Class:

      A glycoside that consists of <stereo>alpha</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>beta</st ereo>-<stereo>D</stereo>-glucose having a 2-(2-methoxycarbonylethylthio)ethyl (CETE) moiety attached to the reducing end anomeric centre. ChEBI CHEBI:63014
      A glycoside that consists of alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucose having a 2-(2-methoxycarbonylethylthio)ethyl (CETE) moiety attached to the reducing end anomeric centre. ChEBI CHEBI:63014
      A glycoside that consists of alpha-D-galactosyl-(1right4)-beta-D-galactosyl-(1right4)-beta-D-glucose having a 2-(2-methoxycarbonylethylthio)ethyl (CETE) moiety attached to the reducing end anomeric ce ntre. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63014

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

Density: 1.6±0.1 g/cm3
Boiling Point: 933.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.1±6.0 kJ/mol
Flash Point: 518.5±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -3.81
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 92.9±5.0 dyne/cm
Molar Volume: 400.2±5.0 cm3

Click to predict properties on the Chemicalize site


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