ChemSpider 2D Image | (5S,10aR)-5-Hydroxy-8-(hydroxymethyl)-3-methoxy-10a-methyl-5,6,10,10a-tetrahydro-1,4-anthracenedione | C17H18O5

(5S,10aR)-5-Hydroxy-8-(hydroxymethyl)-3-methoxy-10a-methyl-5,6,10,10a-tetrahydro-1,4-anthracenedione

  • Molecular FormulaC17H18O5
  • Average mass302.322 Da
  • Monoisotopic mass302.115417 Da
  • ChemSpider ID73978928

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,10aR)-5-Hydroxy-8-(hydroxymethyl)-3-methoxy-10a-methyl-5,6,10,10a-tetrahydro-1,4-anthracendion [German] [ACD/IUPAC Name]
(5S,10aR)-5-Hydroxy-8-(hydroxymethyl)-3-methoxy-10a-methyl-5,6,10,10a-tetrahydro-1,4-anthracenedione [ACD/IUPAC Name]
(5S,10aR)-5-Hydroxy-8-(hydroxyméthyl)-3-méthoxy-10a-méthyl-5,6,10,10a-tétrahydro-1,4-anthracènedione [French] [ACD/IUPAC Name]
1,4-Anthracenedione, 7,8,8a,9-tetrahydro-8-hydroxy-5-(hydroxymethyl)-2-methoxy-8a-methyl-, (8S,8aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 213.5±23.6 °C
Index of Refraction: 1.626
Molar Refractivity: 78.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.52
ACD/KOC (pH 5.5): 212.48
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.52
ACD/KOC (pH 7.4): 212.48
Polar Surface Area: 84 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 220.9±5.0 cm3

Click to predict properties on the Chemicalize site


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