ChemSpider 2D Image | (1R,8R,9S,16S)-8,16-Bis(4-hydroxyphenyl)tetracyclo[7.6.1.0~2,7~.0~10,15~]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol | C28H22O6

(1R,8R,9S,16S)-8,16-Bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol

  • Molecular FormulaC28H22O6
  • Average mass454.471 Da
  • Monoisotopic mass454.141632 Da
  • ChemSpider ID113609709

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,8R,9S,16S)-8,16-Bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-4,6,12,14-tetrol [German] [ACD/IUPAC Name]
(1R,8R,9S,16S)-8,16-Bis(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol [ACD/IUPAC Name]
(1R,8R,9S,16S)-8,16-Bis(4-hydroxyphényl)tétracyclo[7.6.1.02,7.010,15]hexadéca-2,4,6,10,12,14-hexaène-4,6,12,14-tétrol [French] [ACD/IUPAC Name]
5,10-Methano-5H-dibenzo[a,d]cycloheptene-1,3,6,8-tetrol, 10,11-dihydro-11,12-bis(4-hydroxyphenyl)-, (5R,10S,11R,12S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 315.8±27.5 °C
Index of Refraction: 1.775
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 586.98
ACD/KOC (pH 5.5): 3336.95
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 575.27
ACD/KOC (pH 7.4): 3270.42
Polar Surface Area: 121 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 83.9±3.0 dyne/cm
Molar Volume: 301.5±3.0 cm3

Click to predict properties on the Chemicalize site


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