ChemSpider 2D Image | (7aR,11R,14R)-3-Ethyl-11,14,16,17-tetrahydroxy-9-methoxy-2-methyl-7a,8,11,12,13,14-hexahydro-2H-xantheno[2',3':6,7][1,3]benzodioxino[4,5-fg]isoquinoline-1,15-dione | C29H27NO10

(7aR,11R,14R)-3-Ethyl-11,14,16,17-tetrahydroxy-9-methoxy-2-methyl-7a,8,11,12,13,14-hexahydro-2H-xantheno[2',3':6,7][1,3]benzodioxino[4,5-fg]isoquinoline-1,15-dione

  • Molecular FormulaC29H27NO10
  • Average mass549.525 Da
  • Monoisotopic mass549.163513 Da
  • ChemSpider ID8091152

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(7aR,11R,14R)-3-Ethyl-11,14,16,17-tetrahydroxy-9-methoxy-2-methyl-7a,8,11,12,13,14-hexahydro-2H-xantheno[2',3':6,7][1,3]benzodioxino[4,5-fg]isochinolin-1,15-dion [German] [ACD/IUPAC Name]
(7aR,11R,14R)-3-Éthyl-11,14,16,17-tétrahydroxy-9-méthoxy-2-méthyl-7a,8,11,12,13,14-hexahydro-2H-xanthéno[2',3':6,7][1,3]benzodioxino[4,5-fg]isoquinoléine-1,15-dione [French] [ACD/IUPAC Name]
(7aR,11R,14R)-3-Ethyl-11,14,16,17-tetrahydroxy-9-methoxy-2-methyl-7a,8,11,12,13,14-hexahydro-2H-xantheno[2',3':6,7][1,3]benzodioxino[4,5-fg]isoquinoline-1,15-dione [ACD/IUPAC Name]
2H-Xantheno[2',3':6,7][1,3]benzodioxino[4,5-fg]isoquinoline-1,15-dione, 3-ethyl-7a,8,11,12,13,14-hexahydro-11,14,16,17-tetrahydroxy-9-methoxy-2-methyl-, (7aR,11R,14R)- [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: 946.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.2±3.0 kJ/mol
Flash Point: 525.9±34.3 °C
Index of Refraction: 1.766
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 40.04
ACD/KOC (pH 5.5): 472.48
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 2.21
ACD/KOC (pH 7.4): 26.14
Polar Surface Area: 155 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 98.6±5.0 dyne/cm
Molar Volume: 329.1±5.0 cm3

Click to predict properties on the Chemicalize site


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