ChemSpider 2D Image | 2,5-Dihydroxy-3-[(8E)-16-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-8-hexadecen-1-yl]-6-methyl-1,4-benzoquinone | C30H40O8

2,5-Dihydroxy-3-[(8E)-16-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-8-hexadecen-1-yl]-6-methyl-1,4-benzoquinone

  • Molecular FormulaC30H40O8
  • Average mass528.634 Da
  • Monoisotopic mass528.272339 Da
  • ChemSpider ID4944280

  • Double-bond stereo - Double-bond stereo

More details:

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

Ardisiaquinone B
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-[(8E)-16-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-8-hexadecen-1-yl]-6-methyl- [ACD/Index Name]
2,5-Dihydroxy-3-[(8E)-16-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-8-hexadecen-1-yl]-6-methyl-1,4-benzochinon [German] [ACD/IUPAC Name]
2,5-Dihydroxy-3-[(8E)-16-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-8-hexadecen-1-yl]-6-methyl-1,4-benzoquinone [ACD/IUPAC Name]
2,5-Dihydroxy-3-[(8E)-16-(2-hydroxy-5-méthoxy-3,6-dioxo-1,4-cyclohexadién-1-yl)-8-hexadécén-1-yl]-6-méthyl-1,4-benzoquinone [French] [ACD/IUPAC Name]
18761-04-1 [RN]
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-(16-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadiene-1-yl)-8-hexadecenyl)-6-methyl-, (Z)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 704.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 224.2±26.4 °C
Index of Refraction: 1.569
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 432.3±5.0 cm3

Click to predict properties on the Chemicalize site


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