ChemSpider 2D Image | (1Z,2R,3R)-2-(3,5-Dihydroxyphenyl)-1-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)-4,6-indanediol | C28H22O6

(1Z,2R,3R)-2-(3,5-Dihydroxyphenyl)-1-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)-4,6-indanediol

  • Molecular FormulaC28H22O6
  • Average mass454.471 Da
  • Monoisotopic mass454.141632 Da
  • ChemSpider ID114937447

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1Z,2R,3R)-2-(3,5-Dihydroxyphenyl)-1-(4-hydroxybenzyliden)-3-(4-hydroxyphenyl)-4,6-indandiol [German] [ACD/IUPAC Name]
(1Z,2R,3R)-2-(3,5-Dihydroxyphenyl)-1-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)-4,6-indanediol [ACD/IUPAC Name]
(1Z,2R,3R)-2-(3,5-Dihydroxyphényl)-1-(4-hydroxybenzylidène)-3-(4-hydroxyphényl)-4,6-indanediol [French] [ACD/IUPAC Name]
1H-Indene-4,6-diol, 2-(3,5-dihydroxyphenyl)-2,3-dihydro-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylene]-, (1Z,2R,3R)- [ACD/Index Name]
220328-16-5 [RN]
Parthenocissin A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 723.5±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 323.4±24.2 °C
Index of Refraction: 1.790
Molar Refractivity: 129.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1697.73
ACD/KOC (pH 5.5): 7136.69
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1654.61
ACD/KOC (pH 7.4): 6955.43
Polar Surface Area: 121 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 84.4±3.0 dyne/cm
Molar Volume: 305.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement