Deprecated ChemSpider Record

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ChemSpider 2D Image | [(1R,3R,6S)-1-(Hexopyranosyloxy)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[,9~]non-9-yl]methyl benzoate | C23H28O11

[(1R,3R,6S)-1-(Hexopyranosyloxy)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[,9]non-9-yl]methyl benzoate

  • Molecular FormulaC23H28O11
  • Average mass480.462 Da
  • Monoisotopic mass480.163147 Da
  • ChemSpider ID24608535
  • defined stereocentres - 3 of 10 defined stereocentres

More details:

Date of deprecation: 16:41, Nov 7, 2014
Reason for deprecation: Deprecate record: there are no supporting data sources.

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


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

Density: 1.6±0.0 g/cm3
Boiling Point: 722.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 110.7±0.0 kJ/mol
Flash Point: 248.9±0.0 °C
Index of Refraction: 1.662
Molar Refractivity: 112.0±0.0 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.07
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.07
Polar Surface Area: 172 Å2
Polarizability: 44.4±0.0 10-24cm3
Surface Tension: 84.7±0.0 dyne/cm
Molar Volume: 302.7±0.0 cm3

Click to predict properties on the Chemicalize site