ChemSpider 2D Image | 3'-ketolactose | C12H20O11

3'-ketolactose

  • Molecular FormulaC12H20O11
  • Average mass340.281 Da
  • Monoisotopic mass340.100555 Da
  • ChemSpider ID28184593

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

142696-68-2 [RN]
3'-ketolactose
4-O-β-D-xylo-Hexopyranosyl-3-ulose-β-D-glucopyranose [ACD/IUPAC Name]
4-O-β-D-xylo-Hexopyranosyl-3-ulose-β-D-glucopyranose [German] [ACD/IUPAC Name]
4-O-β-D-xylo-Hexopyranosyl-3-ulose-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 4-O-β-D-xylo-hexopyranos-3-ulos-1-yl-
β-D-Glucopyranose, 4-O-β-D-xylo-hexopyranosyl-3-ulose- [ACD/Index Name]
3'-dehydro-β-D-galactosyl-β-D-glucopyranoside
3-Ketolactose
  • Miscellaneous

    • Chemical Class:

      A keto-disaccharide that is <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-glucose in which the hydroxy group at position 3 of th e galactosyl moiety has been oxidised to the corresponding ketone. ChEBI CHEBI:27571
      A keto-disaccharide that is beta-D-galactosyl-(1->4)-beta-D-glucose in which the hydroxy group at position 3 of the galactosyl moiety has been oxidised to the corresponding ketone. ChEBI CHEBI:27571
      A keto-disaccharide that is beta-D-galactosyl-(1right4)-beta-D-glucose in which the hydroxy group at position 3 of th; e galactosyl moiety has been oxidised to the corresponding ketone. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27571

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

Density: 1.8±0.1 g/cm3
Boiling Point: 715.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.4±6.0 kJ/mol
Flash Point: 269.9±26.4 °C
Index of Refraction: 1.640
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.35
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.35
Polar Surface Area: 186 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 106.5±5.0 dyne/cm
Molar Volume: 192.6±5.0 cm3

Click to predict properties on the Chemicalize site


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