Deprecated ChemSpider Record

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ChemSpider 2D Image | 4-O-alpha-D-xylo-Hexopyranosyl-alpha-D-glucopyranose | C12H22O11

4-O-α-D-xylo-Hexopyranosyl-α-D-glucopyranose

  • Molecular FormulaC12H22O11
  • Average mass342.297 Da
  • Monoisotopic mass342.116211 Da
  • ChemSpider ID26943812
  • defined stereocentres - 4 of 10 defined stereocentres


More details:





Date of deprecation: 17:06, Apr 7, 2016
Reason for deprecation: Deprecate record: depiction of a sugar using perspective rather than stereo wedges to indicate stereochemistry - this is not machine readable and results in incorrectly captured or missing stereochemical imformation

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

4-O-α-D-xylo-Hexopyranosyl-α-D-glucopyranose [ACD/IUPAC Name]
4-O-α-D-xylo-Hexopyranosyl-α-D-glucopyranose [German] [ACD/IUPAC Name]
4-O-α-D-xylo-Hexopyranosyl-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 4-O-α-D-xylo-hexopyranosyl- [ACD/Index Name]
9005-84-9 [RN]

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

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

Click to predict properties on the Chemicalize site





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