ChemSpider 2D Image | Dimethyl (5bR,7R,7aS,7bR,14bR)-4,13-dihydroxy-2,7,11-trimethyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphtho[2',3':2,3]pentaleno[1,6-ab]anthracene-5b,7(5H)-dicarboxylate | C31H26O11

Dimethyl (5bR,7R,7aS,7bR,14bR)-4,13-dihydroxy-2,7,11-trimethyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphtho[2',3':2,3]pentaleno[1,6-ab]anthracene-5b,7(5H)-dicarboxylate

  • Molecular FormulaC31H26O11
  • Average mass574.531 Da
  • Monoisotopic mass574.147522 Da
  • ChemSpider ID9941669

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5bR,7R,7aS,7bR,14bR)-4,13-Dihydroxy-2,7,11-triméthyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphto[2',3':2,3]pentaléno[1,6-ab]anthracène-5b,7(5H)-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (5bR,7R,7aS,7bR,14bR)-4,13-dihydroxy-2,7,11-trimethyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphtho[2',3':2,3]pentaleno[1,6-ab]anthracene-5b,7(5H)-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(5bR,7R,7aS,7bR,14bR)-4,13-dihydroxy-2,7,11-trimethyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphtho[2',3':2,3]pentaleno[1,6-ab]anthracen-5b,7(5H)-dicarboxylat [German] [ACD/IUPAC 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: 767.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 253.6±26.4 °C
Index of Refraction: 1.701
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12831.78
ACD/KOC (pH 5.5): 30029.44
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 2123.39
ACD/KOC (pH 7.4): 4969.25
Polar Surface Area: 155 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 362.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement