ChemSpider 2D Image | beta-D-Galp3S-(1->4)-beta-D-Glcp | C12H22O14S

β-D-Galp3S-(1->4)-β-D-Glcp

  • Molecular FormulaC12H22O14S
  • Average mass422.360 Da
  • Monoisotopic mass422.073029 Da
  • ChemSpider ID28532873
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

4-O-(3-O-Sulfo-β-D-galactopyranosyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
4-O-(3-O-Sulfo-β-D-galactopyranosyl)-β-D-glucopyranose [ACD/IUPAC Name]
4-O-(3-O-Sulfo-β-D-galactopyranosyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Galp3S-(1->4)-β-D-Glcp
β-D-Glucopyranose, 4-O-(3-O-sulfo-β-D-galactopyranosyl)- [ACD/Index Name]
(3S)Galb1-4Glcb
(3S)Galbeta1-4Glcbeta
[3OSO3]Galbeta1-4Glcbeta
3-O-sulfo-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose
3-O-sulfo-β-D-galactosyl-(1->4)-β-D-glucose
More...
  • Miscellaneous
    • Chemical Class:

      A glycosylglucose derivative that consists of <stereo>beta</stereo>-<stereo>D</stereo>-glucose having a 3-sulfated <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl residue attached at position 4. ChEBI CHEBI:65179
      A glycosylglucose derivative that consists of beta-D-glucose having a 3-sulfated beta-D-galactosyl residue attached at position 4. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65179

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 81.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -5.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 122.8±5.0 dyne/cm
Molar Volume: 218.8±5.0 cm3

Click to predict properties on the Chemicalize site






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