ChemSpider 2D Image | (2R)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-8-[(2S)-2-isopropenyl-5-methyl-4-hexen-1-yl]-5-methoxy-2,3-dihydro-4H-chromen-4-one | C26H30O6

(2R)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-8-[(2S)-2-isopropenyl-5-methyl-4-hexen-1-yl]-5-methoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC26H30O6
  • Average mass438.513 Da
  • Monoisotopic mass438.204254 Da
  • ChemSpider ID57579278

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-8-[(2S)-2-isopropenyl-5-methyl-4-hexen-1-yl]-5-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2R)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-8-[(2S)-2-isopropenyl-5-methyl-4-hexen-1-yl]-5-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2R)-2-(2,4-Dihydroxyphényl)-7-hydroxy-8-[(2S)-2-isopropényl-5-méthyl-4-hexén-1-yl]-5-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-5-methoxy-8-[(2S)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-, (2R)- [ACD/Index Name]
(2R)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
34981-26-5 [RN]
Kurarinone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 219.0±25.0 °C
Index of Refraction: 1.597
Molar Refractivity: 123.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 20817.93
ACD/KOC (pH 5.5): 42797.63
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 11294.14
ACD/KOC (pH 7.4): 23218.55
Polar Surface Area: 96 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 360.8±3.0 cm3

Click to predict properties on the Chemicalize site


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