ChemSpider 2D Image | Mallotojaponin C | C29H36O8

Mallotojaponin C

  • Molecular FormulaC29H36O8
  • Average mass512.591 Da
  • Monoisotopic mass512.241028 Da
  • ChemSpider ID29414242

More details:






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

1,1'-{Methylenbis[2,6-dihydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)-3,1-phenylen]}diethanon [German] [ACD/IUPAC Name]
1,1'-{Methylenebis[2,6-dihydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)-3,1-phenylene]}diethanone [ACD/IUPAC Name]
1,1'-{Méthylènebis[2,6-dihydroxy-4-méthoxy-5-(3-méthyl-2-butén-1-yl)-3,1-phénylène]}diéthanone [French] [ACD/IUPAC Name]
Ethanone, 1,1'-[methylenebis[2,6-dihydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)-3,1-phenylene]]bis- [ACD/Index Name]
Mallotojaponin C [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 228.1±26.4 °C
Index of Refraction: 1.589
Molar Refractivity: 143.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 7.73
ACD/BCF (pH 5.5): 438317.16
ACD/KOC (pH 5.5): 380054.53
ACD/LogD (pH 7.4): 7.69
ACD/BCF (pH 7.4): 407152.34
ACD/KOC (pH 7.4): 353032.25
Polar Surface Area: 134 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 425.1±3.0 cm3

Click to predict properties on the Chemicalize site





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