ChemSpider 2D Image | Mallotojaponin B | C25H30O8

Mallotojaponin B

  • Molecular FormulaC25H30O8
  • Average mass458.501 Da
  • Monoisotopic mass458.194061 Da
  • ChemSpider ID28945549

More details:



Featured data source



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

1-[3-(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylbenzyl)-2,6-dihydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[3-(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylbenzyl)-2,6-dihydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]ethanone [ACD/IUPAC Name]
1-[3-(3-Acétyl-2,4-dihydroxy-6-méthoxy-5-méthylbenzyl)-2,6-dihydroxy-4-méthoxy-5-(3-méthyl-2-butén-1-yl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-[[3-acetyl-2,4-dihydroxy-6-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]- [ACD/Index Name]
Mallotojaponin B [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 224.3±25.0 °C
Index of Refraction: 1.598
Molar Refractivity: 124.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32774.98
ACD/KOC (pH 5.5): 59387.43
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 30515.36
ACD/KOC (pH 7.4): 55293.05
Polar Surface Area: 134 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 365.6±3.0 cm3

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