ChemSpider 2D Image | Gossypol | C30H30O8


  • Molecular FormulaC30H30O8
  • Average mass518.554 Da
  • Monoisotopic mass518.194092 Da
  • ChemSpider ID3383

More details:

Featured data source

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

[2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)- [ACD/Index Name]
1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-diméthyl-2,2'-binaphtalène-8,8'-dicarbaldéhyde [French] [ACD/IUPAC Name]
1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde [ACD/IUPAC Name]
1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalin-8,8'-dicarbaldehyd [German] [ACD/IUPAC Name]

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

AI3-22957 [DBID]
AIDS000457 [DBID]
AIDS-000457 [DBID]
AIDS001235 [DBID]
AIDS-001235 [DBID]
AIDS044146 [DBID]
AIDS-044146 [DBID]
AT 101 [DBID]
AT-101 [DBID]
BRN 1917878 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      22 40 LKT Labs [G5874]
      351 LKT Labs [G5874]
      None LKT Labs [G5874]
      Xn LKT Labs [G5874]
    • Chemical Class:

      aromatic Microsource [01504019]
    • Drug Status:

      experimental Microsource [01504019]
    • Compound Source:

      Gossypium spp Microsource [01504019]
    • Bio Activity:

      Gossypol has been known to exert a potential for anti-cancer, anti-inflammatory and other important therapeutic activities, gossypol binds and antagonizes anti-apoptotic effect of Bcl-2 family protein s MedChem Express

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 707.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 395.9±28.0 °C
Index of Refraction: 1.742
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14281.62
ACD/KOC (pH 5.5): 32483.58
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 3506.46
ACD/KOC (pH 7.4): 7975.46
Polar Surface Area: 156 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 71.3±3.0 dyne/cm
Molar Volume: 369.6±3.0 cm3

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