ChemSpider 2D Image | (2R)-5,7-Dihydroxy-6,8-bis(2-hydroxybenzyl)-2-phenyl-2,3-dihydro-4H-chromen-4-one | C29H24O6

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

  • Molecular FormulaC29H24O6
  • Average mass468.497 Da
  • Monoisotopic mass468.157288 Da
  • ChemSpider ID22913401

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-5,7-Dihydroxy-6,8-bis(2-hydroxybenzyl)-2-phenyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2R)-5,7-Dihydroxy-6,8-bis(2-hydroxybenzyl)-2-phenyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2R)-5,7-Dihydroxy-6,8-bis(2-hydroxybenzyl)-2-phényl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6,8-bis[(2-hydroxyphenyl)methyl]-2-phenyl-, (2R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 258.3±26.4 °C
Index of Refraction: 1.694
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19333.13
ACD/KOC (pH 5.5): 40552.44
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 9275.62
ACD/KOC (pH 7.4): 19456.21
Polar Surface Area: 107 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 340.5±3.0 cm3

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