ChemSpider 2D Image | beta-D-Gal-(1->4)-alpha-D-Man | C12H22O11

β-D-Gal-(1->4)-α-D-Man

  • Molecular FormulaC12H22O11
  • Average mass342.297 Da
  • Monoisotopic mass342.116211 Da
  • ChemSpider ID32696825

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

101312-82-7 [RN]
20869-27-6 [RN]
4-O-β-D-Galactopyranosyl-α-D-mannopyranose [ACD/IUPAC Name]
4-O-β-D-Galactopyranosyl-α-D-mannopyranose [German] [ACD/IUPAC Name]
4-O-β-D-Galactopyranosyl-α-D-mannopyranose [French] [ACD/IUPAC Name]
α-D-Mannopyranose, 4-O-β-D-galactopyranosyl- [ACD/Index Name]
β-D-Gal-(1->4)-α-D-Man
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
2-epi-Lactose
2-epi-LactoseMFCD00070338
More...
  • Miscellaneous

    • Chemical Class:

      <stereo>beta</stereo>-<stereo>D</stereo>-Gal-(1<arrow>right</arrow>4)-<stereo>D</stereo>-Man in which the anomeric configuration of the mannose residue is <stereo>alpha</stereo>. ChEBI CHEBI:87201
      beta-D-Gal-(1->4)-D-Man in which the anomeric configuration of the mannose residue is alpha. ChEBI CHEBI:87201
      beta-D-Gal-(1right4)-D-Man in which the anomeric configuration of the mannose residue is alpha. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87201

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

Density: 1.8±0.1 g/cm3
Boiling Point: 667.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 357.8±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 70.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.41
ACD/LogD (pH 5.5): -4.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 110.9±5.0 dyne/cm
Molar Volume: 193.6±5.0 cm3

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