ChemSpider 2D Image | (2S,3S,4R)-2,4,5,7-Tetrahydroxy-3-methoxy-2-methyl-3,4-dihydro-1,6,11(2H)-tetracenetrione | C20H16O8

(2S,3S,4R)-2,4,5,7-Tetrahydroxy-3-methoxy-2-methyl-3,4-dihydro-1,6,11(2H)-tetracenetrione

  • Molecular FormulaC20H16O8
  • Average mass384.336 Da
  • Monoisotopic mass384.084503 Da
  • ChemSpider ID23181904

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4R)-2,4,5,7-Tetrahydroxy-3-methoxy-2-methyl-3,4-dihydro-1,6,11(2H)-tetracenetrione [ACD/IUPAC Name]
(2S,3S,4R)-2,4,5,7-Tétrahydroxy-3-méthoxy-2-méthyl-3,4-dihydro-1,6,11(2H)-tétracènetrione [French] [ACD/IUPAC Name]
(2S,3S,4R)-2,4,5,7-Tetrahydroxy-3-methoxy-2-methyl-3,4-dihydro-1,6,11(2H)-tetracentrion [German] [ACD/IUPAC Name]
(2S,3S,4R)-2,4,5,7-tetrahydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11(2H)-trione
1,6,11(2H)-Naphthacenetrione, 3,4-dihydro-2,4,5,7-tetrahydroxy-3-methoxy-2-methyl-, (2S,3S,4R)- [ACD/Index Name]
2,4,5,7-Tetrahydroxy-3-methoxy-2-methyl-3,4-dihydro-2H-naphthacene-1,6,11-trione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL327402/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 701.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 255.6±26.4 °C
Index of Refraction: 1.744
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 50.62
ACD/KOC (pH 5.5): 435.82
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.80
Polar Surface Area: 141 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 100.7±5.0 dyne/cm
Molar Volume: 228.7±5.0 cm3

Click to predict properties on the Chemicalize site


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