ChemSpider 2D Image | MFCD01310876 | C24H42O21

MFCD01310876

  • Molecular FormulaC24H42O21
  • Average mass666.578 Da
  • Monoisotopic mass666.221863 Da
  • ChemSpider ID22900942

  • defined stereocentres - 19 of 20 defined stereocentres

More details:

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

3a,4b,3a-Galactotetraose
3-O-(4-O-[3-O-α-D-Galactopyranosyl-β-D-galactopyranosyl]-α-D-galactopyranosyl)-D-galactopyranose
3α,4β,3α-galactotetraose
56038-38-1 [RN]
D-Galactopyranose, O-α-D-galactopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-O-α-D-galactopyranosyl-(1->;3)- [ACD/Index Name]
MFCD01310876
α-D-Gal-(1->3)-β-D-Gal-(1->4)-α-D-Gal-(1->3)-D-Gal
α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-α-D-galactopyranosyl-(1->3)-D-galactopyranose [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-α-D-galactopyranosyl-(1->3)-D-galactopyranose [German] [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-α-D-galactopyranosyl-(1->3)-D-galactopyranose [French] [ACD/IUPAC Name]
More...

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

1633281 [DBID]
  • Miscellaneous

    • Chemical Class:

      A galactotetraose comprised of four D-galactose residues connected sequentially by alpha(1->3), beta(1->4) and alpha(1->3) linkages. ChEBI CHEBI:60188
      A tetrasaccharide comprised of four <stereo>D</stereo>-galactose residues connected sequentially by <stereo>alpha</stereo>(1<arrow>right</arrow>3), <stereo>beta</stereo>(1<arrow>right</arrow>4) and <s tereo>alpha</stereo>(1<arrow>right</arrow>3) linkages. ChEBI CHEBI:60188
      A tetrasaccharide comprised of four D-galactose residues connected sequentially by alpha(1right3), beta(1right4) and alpha(1right3) linkages. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:60188

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1063.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 176.3±6.0 kJ/mol
Flash Point: 597.0±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 21
#H bond donors: 14
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -5.63
ACD/LogD (pH 5.5): -5.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 348 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 125.1±5.0 dyne/cm
Molar Volume: 362.8±5.0 cm3

Click to predict properties on the Chemicalize site


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