ChemSpider 2D Image | julichrome Q6 ⋅ 6 | C38H38O12

julichrome Q6 ⋅ 6

  • Molecular FormulaC38H38O12
  • Average mass686.701 Da
  • Monoisotopic mass686.236328 Da
  • ChemSpider ID88294171

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(5S,5'S,6S,6'S)-1,1',6,6',9,9'-Hexahydroxy-6,6'-dimethyl-8,8'-dioxo-5,5',6,6',7,7',8,8'-octahydro-2,2'-bianthracen-5,5'-diyl]di(1R)-1,1-ethandiyl-diacetat [German] [ACD/IUPAC Name]
[(5S,5'S,6S,6'S)-1,1',6,6',9,9'-Hexahydroxy-6,6'-dimethyl-8,8'-dioxo-5,5',6,6',7,7',8,8'-octahydro-2,2'-bianthracene-5,5'-diyl]di(1R)-1,1-ethanediyl diacetate [ACD/IUPAC Name]
[2,2'-Bianthracene]-8,8'(5H,5'H)-dione, 5,5'-bis[(1R)-1-(acetyloxy)ethyl]-6,6',7,7'-tetrahydro-1,1',6,6',9,9'-hexahydroxy-6,6'-dimethyl-, (5S,5'S,6S,6'S)- [ACD/Index Name]
Diacétate de [(5S,5'S,6S,6'S)-1,1',6,6',9,9'-hexahydroxy-6,6'-diméthyl-8,8'-dioxo-5,5',6,6',7,7',8,8'-octahydro-2,2'-bianthracène-5,5'-diyl]di(1R)-1,1-éthanediyle [French] [ACD/IUPAC Name]
julichrome Q6 ⋅ 6
Julichrome Q6.6
julichrome Q6-6
  • Miscellaneous

    • Chemical Class:

      A member of the class of bianthracenes resulting from the 7,7'-oxidative dimerisation of julichrome Q6. The major species at pH 7.3 ChEBI CHEBI:145987

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

Density: 1.4±0.1 g/cm3
Boiling Point: 865.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±3.0 kJ/mol
Flash Point: 269.5±27.8 °C
Index of Refraction: 1.680
Molar Refractivity: 180.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 7.53
ACD/KOC (pH 5.5): 26.73
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 478.3±3.0 cm3

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