Found 1 result

Search term: 28515042 (Found by CSID)
ChemSpider 2D Image | 1,3,8-Trihydroxy-6-methoxy-2-[(1S)-1-methoxyhexyl]-9,10-anthraquinone | C22H24O7

1,3,8-Trihydroxy-6-methoxy-2-[(1S)-1-methoxyhexyl]-9,10-anthraquinone

  • Molecular FormulaC22H24O7
  • Average mass400.422 Da
  • Monoisotopic mass400.152191 Da
  • ChemSpider ID28515042

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3,8-Trihydroxy-6-methoxy-2-[(1S)-1-methoxyhexyl]-9,10-anthrachinon [German] [ACD/IUPAC Name]
1,3,8-Trihydroxy-6-methoxy-2-[(1S)-1-methoxyhexyl]-9,10-anthraquinone [ACD/IUPAC Name]
1,3,8-Trihydroxy-6-méthoxy-2-[(1S)-1-méthoxyhexyl]-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,3,8-trihydroxy-6-methoxy-2-[(1S)-1-methoxyhexyl]- [ACD/Index Name]
6,1′-O,O-dimethylaverantin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 226.1±25.0 °C
Index of Refraction: 1.618
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 10909.57
ACD/KOC (pH 5.5): 22222.10
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 20.43
ACD/KOC (pH 7.4): 41.62
Polar Surface Area: 113 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 300.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement