ChemSpider 2D Image | (4R,4aR,12aR)-2-Acetyl-3,10,11,12a-tetrahydroxy-4-methoxy-4a,12a-dihydro-1,12(4H,5H)-tetracenedione | C21H18O8

(4R,4aR,12aR)-2-Acetyl-3,10,11,12a-tetrahydroxy-4-methoxy-4a,12a-dihydro-1,12(4H,5H)-tetracenedione

  • Molecular FormulaC21H18O8
  • Average mass398.363 Da
  • Monoisotopic mass398.100159 Da
  • ChemSpider ID30653706

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,4aR,12aR)-2-Acetyl-3,10,11,12a-tetrahydroxy-4-methoxy-4a,12a-dihydro-1,12(4H,5H)-tetracendion [German] [ACD/IUPAC Name]
(4R,4aR,12aR)-2-Acetyl-3,10,11,12a-tetrahydroxy-4-methoxy-4a,12a-dihydro-1,12(4H,5H)-tetracenedione [ACD/IUPAC Name]
(4R,4aR,12aR)-2-Acétyl-3,10,11,12a-tétrahydroxy-4-méthoxy-4a,12a-dihydro-1,12(4H,5H)-tétracènedione [French] [ACD/IUPAC Name]
1,12(4H,5H)-Naphthacenedione, 2-acetyl-4a,12a-dihydro-3,10,11,12a-tetrahydroxy-4-methoxy-, (4R,4aR,12aR)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 664.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 238.5±25.0 °C
Index of Refraction: 1.737
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.44
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 92.1±5.0 dyne/cm
Molar Volume: 245.7±5.0 cm3

Click to predict properties on the Chemicalize site


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