ChemSpider 2D Image | Cyphostemmin A | C28H22O6

Cyphostemmin A

  • Molecular FormulaC28H22O6
  • Average mass454.471 Da
  • Monoisotopic mass454.141632 Da
  • ChemSpider ID58226951

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8S)-8-(3,5-Dihydroxyphényl)-6,7-bis(4-hydroxyphényl)-5,8-dihydro-1,3-naphtalènediol [French] [ACD/IUPAC Name]
(8S)-8-(3,5-Dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydro-1,3-naphthalenediol [ACD/IUPAC Name]
(8S)-8-(3,5-Dihydroxyphenyl)-6,7-bis(4-hydroxyphenyl)-5,8-dihydro-1,3-naphthalindiol [German] [ACD/IUPAC Name]
1,3-Naphthalenediol, 8-(3,5-dihydroxyphenyl)-5,8-dihydro-6,7-bis(4-hydroxyphenyl)-, (8S)- [ACD/Index Name]
Cyphostemmin A [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 715.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 319.8±27.5 °C
Index of Refraction: 1.762
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2590.83
ACD/KOC (pH 5.5): 9658.17
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2526.04
ACD/KOC (pH 7.4): 9416.67
Polar Surface Area: 121 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 308.7±3.0 cm3

Click to predict properties on the Chemicalize site


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