Deprecated ChemSpider Record

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ChemSpider 2D Image | 14-Oxahexacyclo[13.9.3.2~10,13~.0~2,7~.0~18,26~.0~21,25~]nonacosa-1(25),2,4,6,10,12,15,17,21,23,26,28-dodecaene-5,16,24-triol | C28H22O4

14-Oxahexacyclo[13.9.3.210,13.02,7.018,26.021,25]nonacosa-1(25),2,4,6,10,12,15,17,21,23,26,28-dodecaene-5,16,24-triol

  • Molecular FormulaC28H22O4
  • Average mass422.472 Da
  • Monoisotopic mass422.151794 Da
  • ChemSpider ID26323925

More details:

Date of deprecation: 16:29, Sep 10, 2015
Reason for deprecation: Deprecate record: no supporting datasources - was based on an incorrect structure on wikipedia

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

3,5-Ethanediylidene-7,10-ethenobenzo[g]naphth[1,8-de]oxacyclotetradecin-14,17,22-triol, 1,2,11,12-tetrahydro- [ACD/Index Name]
1,2,11,12-Tetrahydro-3,5-(ethanediylidene)-7,10-ethenobenzo[g]naphtho[1,8-de]oxacyclotetradecine-14,17,22-triol
178734-41-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 688.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 370.1±31.5 °C
Index of Refraction: 1.714
Molar Refractivity: 122.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.29
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 38428.92
ACD/KOC (pH 5.5): 66558.43
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36585.96
ACD/KOC (pH 7.4): 63366.45
Polar Surface Area: 70 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 312.1±3.0 cm3

Click to predict properties on the Chemicalize site


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