ChemSpider 2D Image | 1-(3-{[(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]methyl}-2,4-dihydroxy-6-methoxy-5-methylphenyl)ethanone | C26H26O10

1-(3-{[(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]methyl}-2,4-dihydroxy-6-methoxy-5-methylphenyl)ethanone

  • Molecular FormulaC26H26O10
  • Average mass498.479 Da
  • Monoisotopic mass498.152588 Da
  • ChemSpider ID28289562

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

1-(3-{[(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]methyl}-2,4-dihydroxy-6-methoxy-5-methylphenyl)ethanon [German] [ACD/IUPAC Name]
1-(3-{[(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]methyl}-2,4-dihydroxy-6-methoxy-5-methylphenyl)ethanone [ACD/IUPAC Name]
1-(3-{[(2R,3S)-2-(3,4-Dihydroxyphényl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromén-8-yl]méthyl}-2,4-dihydroxy-6-méthoxy-5-méthylphényl)éthanone [French] [ACD/IUPAC Name]
1362756-04-4 [RN]
Ethanone, 1-[3-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl]- [ACD/Index Name]
pilosanol N

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

Density: 1.5±0.1 g/cm3
Boiling Point: 823.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.5±3.0 kJ/mol
Flash Point: 280.4±27.8 °C
Index of Refraction: 1.704
Molar Refractivity: 128.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.80
ACD/KOC (pH 5.5): 813.16
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 59.13
ACD/KOC (pH 7.4): 587.74
Polar Surface Area: 177 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 77.2±3.0 dyne/cm
Molar Volume: 330.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement