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ChemSpider 2D Image | Asphodelin A | C15H10O6

Asphodelin A

  • Molecular FormulaC15H10O6
  • Average mass286.236 Da
  • Monoisotopic mass286.047729 Da
  • ChemSpider ID23278396

More details:

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

2H-1-Benzopyran-2-one, 3-(2,4-dihydroxyphenyl)-4,7-dihydroxy- [ACD/Index Name]
3-(2,4-Dihydroxyphenyl)-4,7-dihydroxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-(2,4-Dihydroxyphenyl)-4,7-dihydroxy-2H-chromen-2-one [ACD/IUPAC Name]
3-(2,4-Dihydroxyphényl)-4,7-dihydroxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
Asphodelin A [Wiki]
923570-49-4 [RN]
  • Miscellaneous
    • Chemical Class:

      A hydroxycoumarin that is 4,7-dihydroxy-2<element>H</element>-chromen-2-one substituted by a 2,4-dihydroxyphenyl group at position 3. It is isolated from the roots of <ital>Asphodelus microcarpus</ita l> and exhibits antimicrobial activity against bacteria like <ital>Staphylococcus aureus</ital>, <ital>Escherichia coli</ital> and <ital>Pseudomonas aeruginosa</ital> and fungal microorganisms like <i tal>Candida albicans</ital> and <ital>Botrytis cinerea</ital>. ChEBI CHEBI:65453
      A hydroxycoumarin that is 4,7-dihydroxy-2H-chromen-2-one substituted by a 2,4-dihydroxyphenyl group at position 3. It is isolated from the roots of Asphodelus microcarpus and exhibits antimicrobial ac tivity against bacteria like Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa and fungal microorganisms like Candida albicans and Botrytis cinerea. ChEBI

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

Density: 1.7±0.1 g/cm3
Boiling Point: 641.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 249.2±25.0 °C
Index of Refraction: 1.785
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 15.68
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 98.9±3.0 dyne/cm
Molar Volume: 169.5±3.0 cm3

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