ChemSpider 2D Image | (8R)-8-[(1R)-1,2-Dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione | C21H20O8

(8R)-8-[(1R)-1,2-Dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione

  • Molecular FormulaC21H20O8
  • Average mass400.379 Da
  • Monoisotopic mass400.115814 Da
  • ChemSpider ID62313844

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8R)-8-[(1R)-1,2-Dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracendion [German] [ACD/IUPAC Name]
(8R)-8-[(1R)-1,2-Dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione [ACD/IUPAC Name]
(8R)-8-[(1R)-1,2-Dihydroxyéthyl]-6,8,11-trihydroxy-1-méthoxy-7,8,9,10-tétrahydro-5,12-tétracènedione [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-[(1R)-1,2-dihydroxyethyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8R)- [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: 765.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 274.8±26.4 °C
Index of Refraction: 1.719
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 91.73
ACD/KOC (pH 5.5): 881.53
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 52.61
ACD/KOC (pH 7.4): 505.58
Polar Surface Area: 145 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 89.1±3.0 dyne/cm
Molar Volume: 252.8±3.0 cm3

Click to predict properties on the Chemicalize site


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