ChemSpider 2D Image | diphlorethohydroxycarmalol | C24H16O13

diphlorethohydroxycarmalol

  • Molecular FormulaC24H16O13
  • Average mass512.376 Da
  • Monoisotopic mass512.059082 Da
  • ChemSpider ID10480430

More details:

Featured data source
Natural Product Updates

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

138529-04-1 [RN]
7-(3,5-Dihydroxyphenoxy)-3-(2,4,6-trihydroxyphenoxy)-1,2,6,8-oxanthrenetetrol [ACD/IUPAC Name]
7-(3,5-Dihydroxyphénoxy)-3-(2,4,6-trihydroxyphénoxy)-1,2,6,8-oxanthrènetétrol [French] [ACD/IUPAC Name]
7-(3,5-Dihydroxyphenoxy)-3-(2,4,6-trihydroxyphenoxy)-1,2,6,8-oxanthrentetrol [German] [ACD/IUPAC Name]
7-(3,5-Dihydroxyphenoxy)-3-(2,4,6-trihydroxyphenoxy)dibenzo[b,e][1,4]dioxin-1,2,6,8-tetrol
Dibenzo[b,e][1,4]dioxin-1,2,6,8-tetrol, 7-(3,5-dihydroxyphenoxy)-3-(2,4,6-trihydroxyphenoxy)- [ACD/Index Name]
diphlorethohydroxycarmalol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 784.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 428.5±32.9 °C
Index of Refraction: 1.843
Molar Refractivity: 122.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.75
ACD/KOC (pH 5.5): 134.85
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 25.01
Polar Surface Area: 219 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 121.3±3.0 dyne/cm
Molar Volume: 275.2±3.0 cm3

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