ChemSpider 2D Image | 4-{3-[(4E)-6-(2,6-Dihydroxy-4-methylphenyl)-4-methyl-4-hexen-1-yl]-5-(2-methyl-1-propen-1-yl)-2-furyl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,2-benzoquinone | C44H56O6

4-{3-[(4E)-6-(2,6-Dihydroxy-4-methylphenyl)-4-methyl-4-hexen-1-yl]-5-(2-methyl-1-propen-1-yl)-2-furyl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,2-benzoquinone

  • Molecular FormulaC44H56O6
  • Average mass680.912 Da
  • Monoisotopic mass680.407715 Da
  • ChemSpider ID17276929

  • Double-bond stereo - Double-bond stereo

More details:

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

3,5-Cyclohexadiene-1,2-dione, 4-[3-[(4E)-6-(2,6-dihydroxy-4-methylphenyl)-4-methyl-4-hexen-1-yl]-5-(2-methyl-1-propen-1-yl)-2-furanyl]-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien -1-yl]- [ACD/Index Name]
4-{3-[(4E)-6-(2,6-Dihydroxy-4-methylphenyl)-4-methyl-4-hexen-1-yl]-5-(2-methyl-1-propen-1-yl)-2-furyl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,2-benzochinon [German] [ACD/IUPAC Name]
4-{3-[(4E)-6-(2,6-Dihydroxy-4-methylphenyl)-4-methyl-4-hexen-1-yl]-5-(2-methyl-1-propen-1-yl)-2-furyl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,2-benzoquinone [ACD/IUPAC Name]
4-{3-[(4E)-6-(2,6-Dihydroxy-4-méthylphényl)-4-méthyl-4-hexén-1-yl]-5-(2-méthyl-1-propén-1-yl)-2-furyl}-5-hydroxy-3-méthyl-6-[(2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-1,2-benzoquinone [French] [ACD/IUPAC Name]
albatrellin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 794.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 434.1±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 205.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 13.65
ACD/LogD (pH 5.5): 9.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2095313.50
ACD/LogD (pH 7.4): 8.19
ACD/BCF (pH 7.4): 211334.42
ACD/KOC (pH 7.4): 35962.63
Polar Surface Area: 108 Å2
Polarizability: 81.5±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 614.3±3.0 cm3

Click to predict properties on the Chemicalize site


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