ChemSpider 2D Image | 3-[(2R)-1-(2,4-Dihydroxyphenyl)-3,3-bis(4-hydroxyphenyl)-1-oxo-2-propanyl]-7-hydroxy-4H-chromen-4-one | C30H22O8

3-[(2R)-1-(2,4-Dihydroxyphenyl)-3,3-bis(4-hydroxyphenyl)-1-oxo-2-propanyl]-7-hydroxy-4H-chromen-4-one

  • Molecular FormulaC30H22O8
  • Average mass510.491 Da
  • Monoisotopic mass510.131470 Da
  • ChemSpider ID9751860

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(2R)-1-(2,4-Dihydroxyphenyl)-3,3-bis(4-hydroxyphenyl)-1-oxo-2-propanyl]-7-hydroxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-[(2R)-1-(2,4-Dihydroxyphenyl)-3,3-bis(4-hydroxyphenyl)-1-oxo-2-propanyl]-7-hydroxy-4H-chromen-4-one [ACD/IUPAC Name]
3-[(2R)-1-(2,4-Dihydroxyphényl)-3,3-bis(4-hydroxyphényl)-1-oxo-2-propanyl]-7-hydroxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(1R)-1-[bis(4-hydroxyphenyl)methyl]-2-(2,4-dihydroxyphenyl)-2-oxoethyl]-7-hydroxy- [ACD/Index Name]
110383-39-6 [RN]
3-[(2R)-1-(2,4-dihydroxyphenyl)-3,3-bis(4-hydroxyphenyl)-1-oxopropan-2-yl]-7-hydroxychromen-4-one
Lophirone 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: 845.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 285.4±27.8 °C
Index of Refraction: 1.729
Molar Refractivity: 136.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3041.92
ACD/KOC (pH 5.5): 10606.42
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 234.12
ACD/KOC (pH 7.4): 816.33
Polar Surface Area: 145 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 78.2±3.0 dyne/cm
Molar Volume: 343.3±3.0 cm3

Click to predict properties on the Chemicalize site


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