Found 1 result

Search term: 23285972 (Found by CSID)
ChemSpider 2D Image | 1,3,5-Trihydroxy-2-methyl-4-(3-methylbutyl)-9,10-anthraquinone | C20H20O5

1,3,5-Trihydroxy-2-methyl-4-(3-methylbutyl)-9,10-anthraquinone

  • Molecular FormulaC20H20O5
  • Average mass340.370 Da
  • Monoisotopic mass340.131073 Da
  • ChemSpider ID23285972

More details:

Featured data source
Natural Product Updates

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

1,3,5-Trihydroxy-2-methyl-4-(3-methylbutyl)-9,10-anthrachinon [German] [ACD/IUPAC Name]
1,3,5-Trihydroxy-2-methyl-4-(3-methylbutyl)-9,10-anthraquinone [ACD/IUPAC Name]
1,3,5-Trihydroxy-2-méthyl-4-(3-méthylbutyl)-9,10-anthraquinone [French] [ACD/IUPAC Name]
1,3,5-trihydroxy-2-methyl-4-(3-methylbutyl)anthracene-9,10-dione
9,10-Anthracenedione, 1,3,5-trihydroxy-2-methyl-4-(3-methylbutyl)- [ACD/Index Name]
1,3,5-trihydroxy-4-isopentyl-2-methylanthracene-9,10-dione
E'LUPINACIDIN A'
LUPINACIDIN A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 586.3±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 322.4±23.6 °C
Index of Refraction: 1.651
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 29702.12
ACD/KOC (pH 5.5): 53394.80
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 1270.78
ACD/KOC (pH 7.4): 2284.46
Polar Surface Area: 95 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 253.3±3.0 cm3

Click to predict properties on the Chemicalize site


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