ChemSpider 2D Image | (2S,2'S)-1,1'-(1,3,7,9-Tetrahydroxy-4,6-dimethyldibenzo[b,d]furan-2,8-diyl)bis(2-methyl-1-butanone) | C24H28O7

(2S,2'S)-1,1'-(1,3,7,9-Tetrahydroxy-4,6-dimethyldibenzo[b,d]furan-2,8-diyl)bis(2-methyl-1-butanone)

  • Molecular FormulaC24H28O7
  • Average mass428.475 Da
  • Monoisotopic mass428.183502 Da
  • ChemSpider ID62674525

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'S)-1,1'-(1,3,7,9-Tetrahydroxy-4,6-dimethyldibenzo[b,d]furan-2,8-diyl)bis(2-methyl-1-butanon) [German] [ACD/IUPAC Name]
(2S,2'S)-1,1'-(1,3,7,9-Tetrahydroxy-4,6-dimethyldibenzo[b,d]furan-2,8-diyl)bis(2-methyl-1-butanone) [ACD/IUPAC Name]
(2S,2'S)-1,1'-(1,3,7,9-Tétrahydroxy-4,6-diméthyldibenzo[b,d]furane-2,8-diyl)bis(2-méthyl-1-butanone) [French] [ACD/IUPAC Name]
1-Butanone, 1,1'-(1,3,7,9-tetrahydroxy-4,6-dimethyl-2,8-dibenzofurandiyl)bis[2-methyl-, (2S,2'S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 596.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 314.5±28.7 °C
Index of Refraction: 1.643
Molar Refractivity: 119.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35489.23
ACD/KOC (pH 5.5): 62661.86
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 17540.75
ACD/KOC (pH 7.4): 30970.97
Polar Surface Area: 128 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 329.6±3.0 cm3

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