ChemSpider 2D Image | (5S,6S)-1,5,6-Trihydroxy-3-(hydroxymethyl)-8-methoxy-5,6-dihydro-7,12-tetraphenedione | C20H16O7

(5S,6S)-1,5,6-Trihydroxy-3-(hydroxymethyl)-8-methoxy-5,6-dihydro-7,12-tetraphenedione

  • Molecular FormulaC20H16O7
  • Average mass368.337 Da
  • Monoisotopic mass368.089600 Da
  • ChemSpider ID74039955

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6S)-1,5,6-Trihydroxy-3-(hydroxymethyl)-8-methoxy-5,6-dihydro-7,12-tetraphendion [German] [ACD/IUPAC Name]
(5S,6S)-1,5,6-Trihydroxy-3-(hydroxymethyl)-8-methoxy-5,6-dihydro-7,12-tetraphenedione [ACD/IUPAC Name]
(5S,6S)-1,5,6-Trihydroxy-3-(hydroxyméthyl)-8-méthoxy-5,6-dihydro-7,12-tétraphènedione [French] [ACD/IUPAC Name]
(5S,6S)-5,6-Dihydro-1,5,6-trihydroxy-3-(hydroxymethyl)-8-methoxybenz[a]anthracene-7,12-dione
98015-54-4 [RN]
Benz[a]anthracene-7,12-dione, 5,6-dihydro-1,5,6-trihydroxy-3-(hydroxymethyl)-8-methoxy-, (5S,6S)- [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: 731.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 268.1±26.4 °C
Index of Refraction: 1.753
Molar Refractivity: 91.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.04
ACD/KOC (pH 5.5): 317.99
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 15.40
ACD/KOC (pH 7.4): 222.12
Polar Surface Area: 124 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 96.5±5.0 dyne/cm
Molar Volume: 224.9±5.0 cm3

Click to predict properties on the Chemicalize site


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