ChemSpider 2D Image | (2E)-1-[6-(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl]-3-(4-hydroxyphenyl)-2-propen-1-one | C30H28O9

(2E)-1-[6-(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl]-3-(4-hydroxyphenyl)-2-propen-1-one

  • Molecular FormulaC30H28O9
  • Average mass532.538 Da
  • Monoisotopic mass532.173340 Da
  • ChemSpider ID4476936

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-[6-(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl]-3-(4-hydroxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[6-(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl]-3-(4-hydroxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[6-(3-Acétyl-2,4,6-trihydroxy-5-méthylbenzyl)-5,7-dihydroxy-2,2-diméthyl-2H-chromén-8-yl]-3-(4-hydroxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-3-(4-hydroxyphenyl)-, (2E)- [ACD/Index Name]
4-Hydroxyrottlerin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 835.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 277.4±27.8 °C
Index of Refraction: 1.697
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31198.14
ACD/KOC (pH 5.5): 56421.65
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 4503.05
ACD/KOC (pH 7.4): 8143.74
Polar Surface Area: 165 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 377.2±3.0 cm3

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