ChemSpider 2D Image | 1,3,6-Trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one | C24H28O7

1,3,6-Trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

  • Molecular FormulaC24H28O7
  • Average mass428.475 Da
  • Monoisotopic mass428.183502 Da
  • ChemSpider ID44210487

More details:

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

1,3,6-Trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methyl-2-buten-1-yl)-9H-xanthen-9-on [German] [ACD/IUPAC Name]
1,3,6-Trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one [ACD/IUPAC Name]
1,3,6-Trihydroxy-2-(3-hydroxy-3-méthylbutyl)-7-méthoxy-8-(3-méthyl-2-butén-1-yl)-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 1,3,6-trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
1,3,6-trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methyl-2-buten-1-yl)-9H-Xanthen-9-one?
1,3,6-trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
1,3,6-trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)xanthen-9-one
1,3,6-trihydroxy-2-(3-hydroxy-3-methylbutyl)-7-methoxy-8-(3-methylbut-2-enyl)xanthen-9-one
149155-01-1 [RN]
Cratoxylone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 231.2±25.0 °C
Index of Refraction: 1.625
Molar Refractivity: 116.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 565.12
ACD/KOC (pH 5.5): 3185.93
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 56.68
ACD/KOC (pH 7.4): 319.55
Polar Surface Area: 116 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 328.5±3.0 cm3

Click to predict properties on the Chemicalize site


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