ChemSpider 2D Image | Copalliferol B | C42H32O9

Copalliferol B

  • Molecular FormulaC42H32O9
  • Average mass680.698 Da
  • Monoisotopic mass680.204651 Da
  • ChemSpider ID391054

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7,12-tris(4-hydroxyphenyl)-5,7a,12,12a-tetrahydrodibenzo[a,e]azulen-2,4,9,11-tetrol [German] [ACD/IUPAC Name]
(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7,12-tris(4-hydroxyphenyl)-5,7a,12,12a-tetrahydrodibenzo[a,e]azulene-2,4,9,11-tetrol [ACD/IUPAC Name]
(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphényl)-5,7,12-tris(4-hydroxyphényl)-5,7a,12,12a-tétrahydrodibenzo[a,e]azulène-2,4,9,11-tétrol [French] [ACD/IUPAC Name]
(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)dibenz[a,e]azulene-2,4,9,11-tetrol
104380-52-1 [RN]
Copalliferol B
Dibenz[a,e]azulene-2,4,9,11-tetrol, 6-(3,5-dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)-, (5S,7aS,12R,12aS)- [ACD/Index Name]
Dibenz[a,e]azulene-2,4,9,11-tetrol,6-(3,5-dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)-,(5S,7aS,12R,12aS)-

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

C10252 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 919.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.3±3.0 kJ/mol
Flash Point: 373.7±28.9 °C
Index of Refraction: 1.782
Molar Refractivity: 189.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 9
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 52703.15
ACD/KOC (pH 5.5): 83403.37
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 52324.34
ACD/KOC (pH 7.4): 82803.80
Polar Surface Area: 182 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 83.4±3.0 dyne/cm
Molar Volume: 449.9±3.0 cm3

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