ChemSpider 2D Image | (1R,3S,9R,11S)-7,15-Dihydroxy-1,3,6,9,11,14-hexamethyl-1,3,4,9,11,12-hexahydro-8H,16H-isochromeno[7',6',5':5,10]anthra[9,1-fg]isochromene-8,16-dione | C32H30O6

(1R,3S,9R,11S)-7,15-Dihydroxy-1,3,6,9,11,14-hexamethyl-1,3,4,9,11,12-hexahydro-8H,16H-isochromeno[7',6',5':5,10]anthra[9,1-fg]isochromene-8,16-dione

  • Molecular FormulaC32H30O6
  • Average mass510.577 Da
  • Monoisotopic mass510.204254 Da
  • ChemSpider ID17273075

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S,9R,11S)-7,15-Dihydroxy-1,3,6,9,11,14-hexamethyl-1,3,4,9,11,12-hexahydro-8H,16H-isochromeno[7',6',5':5,10]anthra[9,1-fg]isochromen-8,16-dion [German] [ACD/IUPAC Name]
(1R,3S,9R,11S)-7,15-Dihydroxy-1,3,6,9,11,14-hexamethyl-1,3,4,9,11,12-hexahydro-8H,16H-isochromeno[7',6',5':5,10]anthra[9,1-fg]isochromene-8,16-dione [ACD/IUPAC Name]
(1R,3S,9R,11S)-7,15-Dihydroxy-1,3,6,9,11,14-hexaméthyl-1,3,4,9,11,12-hexahydro-8H,16H-isochroméno[7',6',5':5,10]anthra[9,1-fg]isochromène-8,16-dione [French] [ACD/IUPAC Name]
8H,16H-Peryleno[11,12-c:5,6-c']dipyran-8,16-dione, 1,3,4,9,11,12-hexahydro-7,15-dihydroxy-1,3,6,9,11,14-hexamethyl-, (1R,3S,9R,11S)- [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: 786.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 262.6±26.4 °C
Index of Refraction: 1.722
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 7.89
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 422574.34
ACD/KOC (pH 5.5): 370078.25
ACD/LogD (pH 7.4): 7.63
ACD/BCF (pH 7.4): 353782.28
ACD/KOC (pH 7.4): 309832.19
Polar Surface Area: 93 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 360.2±5.0 cm3

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