Found 1 result

Search term: 71117682 (Found by CSID)
ChemSpider 2D Image | 2,2'-Oxybis{4,5,7-trihydroxy-6-[(1S)-1-methoxyhexyl]-9,10-anthraquinone} | C42H42O13

2,2'-Oxybis{4,5,7-trihydroxy-6-[(1S)-1-methoxyhexyl]-9,10-anthraquinone}

  • Molecular FormulaC42H42O13
  • Average mass754.775 Da
  • Monoisotopic mass754.262512 Da
  • ChemSpider ID71117682

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,2'-Oxybis{4,5,7-trihydroxy-6-[(1S)-1-methoxyhexyl]-9,10-anthrachinon} [German] [ACD/IUPAC Name]
2,2'-Oxybis{4,5,7-trihydroxy-6-[(1S)-1-methoxyhexyl]-9,10-anthraquinone} [ACD/IUPAC Name]
2,2'-Oxybis{4,5,7-trihydroxy-6-[(1S)-1-méthoxyhexyl]-9,10-anthraquinone} [French] [ACD/IUPAC Name]
6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-methoxyhexyl)anthracene-9,10-dione
9,10-Anthracenedione, 2,2'-oxybis[4,5,7-trihydroxy-6-[(1S)-1-methoxyhexyl]- [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: 966.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.7±3.0 kJ/mol
Flash Point: 294.9±27.8 °C
Index of Refraction: 1.661
Molar Refractivity: 197.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 13.69
ACD/LogD (pH 5.5): 10.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8930166.00
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 416.61
ACD/KOC (pH 7.4): 51.52
Polar Surface Area: 217 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 534.8±3.0 cm3

Click to predict properties on the Chemicalize site


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