Deprecated ChemSpider Record

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ChemSpider 2D Image | 14-Oxahexacyclo[,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


  • 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

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  • Chemically impossible structures (eg. incorrect valence atoms)
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  • 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]
178734-41-3 [RN]

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

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