ChemSpider 2D Image | Chlorocyclinone C | C26H21ClO10

Chlorocyclinone C

  • Molecular FormulaC26H21ClO10
  • Average mass528.892 Da
  • Monoisotopic mass528.082336 Da
  • ChemSpider ID22199626

More details:

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2-Chloro-6,8-dihydroxy-9-[1-(2-hydroxyacétoxy)éthyl]-1-méthoxy-3-méthyl-7,12-dioxo-7,12-dihydro-10-tétraphènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Benz[a]anthracene-10-carboxylic acid, 2-chloro-7,12-dihydro-6,8-dihydroxy-9-[1-[(2-hydroxyacetyl)oxy]ethyl]-1-methoxy-3-methyl-7,12-dioxo-, methyl ester [ACD/Index Name]
Chlorocyclinone C
Methyl 2-chloro-9-[1-(glycoloyloxy)ethyl]-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydro-10-tetraphenecarboxylate [ACD/IUPAC Name]
Methyl-2-chlor-9-[1-(glycoloyloxy)ethyl]-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydro-10-tetraphencarboxylat [German] [ACD/IUPAC Name]
CHEMBL254815
methyl 2-chloro-6,8-dihydroxy-9-{1-[(hydroxyacetyl)oxy]ethyl}-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydrotetraphene-10-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 785.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 428.6±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 1216.36
ACD/KOC (pH 5.5): 2914.49
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 12.78
ACD/KOC (pH 7.4): 30.63
Polar Surface Area: 157 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 70.3±3.0 dyne/cm
Molar Volume: 347.7±3.0 cm3

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