ChemSpider 2D Image | (7S)-4,8,10-Trihydroxy-1,7-bis(4-hydroxyphenyl)-2-oxadibenzo[cd,h]azulen-6(7H)-one | C28H18O7

(7S)-4,8,10-Trihydroxy-1,7-bis(4-hydroxyphenyl)-2-oxadibenzo[cd,h]azulen-6(7H)-one

  • Molecular FormulaC28H18O7
  • Average mass466.438 Da
  • Monoisotopic mass466.105255 Da
  • ChemSpider ID28489086

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7S)-4,8,10-Trihydroxy-1,7-bis(4-hydroxyphenyl)-2-oxadibenzo[cd,h]azulen-6(7H)-on [German] [ACD/IUPAC Name]
(7S)-4,8,10-Trihydroxy-1,7-bis(4-hydroxyphenyl)-2-oxadibenzo[cd,h]azulen-6(7H)-one [ACD/IUPAC Name]
(7S)-4,8,10-Trihydroxy-1,7-bis(4-hydroxyphényl)-2-oxadibenzo[cd,h]azulén-6(7H)-one [French] [ACD/IUPAC Name]
(7S)-4,8,10-Trihydroxy-1,7-bis(4-hydroxyphenyl)benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-6(7H)-one
143228-43-7 [RN]
Benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-6(7H)-one, 4,8,10-trihydroxy-1,7-bis(4-hydroxyphenyl)-, (7S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 723.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 391.1±32.9 °C
Index of Refraction: 1.787
Molar Refractivity: 127.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 458.67
ACD/KOC (pH 5.5): 2794.57
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 363.34
ACD/KOC (pH 7.4): 2213.73
Polar Surface Area: 131 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 83.3±3.0 dyne/cm
Molar Volume: 301.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement