ChemSpider 2D Image | (8S,10S)-8-[(1R)-1,2-Dihydroxyethyl]-6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione | C21H20O9

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

  • Molecular FormulaC21H20O9
  • Average mass416.378 Da
  • Monoisotopic mass416.110718 Da
  • ChemSpider ID62563297

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8S,10S)-8-[(1R)-1,2-Dihydroxyethyl]-6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracendion [German] [ACD/IUPAC Name]
(8S,10S)-8-[(1R)-1,2-Dihydroxyethyl]-6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione [ACD/IUPAC Name]
(8S,10S)-8-[(1R)-1,2-Dihydroxyéthyl]-6,8,10,11-tétrahydroxy-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-6,8,10,11-tetrahydroxy-1-methoxy-, (8S,10S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 762.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 272.4±26.4 °C
Index of Refraction: 1.745
Molar Refractivity: 101.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 18.92
ACD/KOC (pH 5.5): 284.35
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 8.63
ACD/KOC (pH 7.4): 129.66
Polar Surface Area: 165 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 100.8±3.0 dyne/cm
Molar Volume: 249.8±3.0 cm3

Click to predict properties on the Chemicalize site


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