ChemSpider 2D Image | (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis(4-hydroxybenzyl)-2,3-dihydro-4H-chromen-4-one | C29H24O9

(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis(4-hydroxybenzyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC29H24O9
  • Average mass516.495 Da
  • Monoisotopic mass516.142029 Da
  • ChemSpider ID9224737

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis(4-hydroxybenzyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis(4-hydroxybenzyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphényl)-3,5,7-trihydroxy-6,8-bis(4-hydroxybenzyl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-6,8-bis[(4-hydroxyphenyl)methyl]-, (2R,3R)- [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: 904.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.7±3.0 kJ/mol
Flash Point: 305.5±27.8 °C
Index of Refraction: 1.749
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 627.10
ACD/KOC (pH 5.5): 3484.86
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 294.05
ACD/KOC (pH 7.4): 1634.07
Polar Surface Area: 168 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 86.7±3.0 dyne/cm
Molar Volume: 334.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement