ChemSpider 2D Image | Methyl 2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C22H20O10

Methyl 2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC22H20O10
  • Average mass444.388 Da
  • Monoisotopic mass444.105652 Da
  • ChemSpider ID26503647

More details:






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

1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-, methyl ester [ACD/Index Name]
2-Éthyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]
24051-08-9 [RN]
METHYL(1R,2R,4S)-2-ETHYL-2,4,5,7,10,12-HEXAHYDROXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-CARBOXYLATE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 642.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 224.4±25.0 °C
Index of Refraction: 1.727
Molar Refractivity: 106.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 641.49
ACD/KOC (pH 5.5): 3459.11
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 35.35
ACD/KOC (pH 7.4): 190.64
Polar Surface Area: 182 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 95.3±3.0 dyne/cm
Molar Volume: 267.2±3.0 cm3

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