ChemSpider 2D Image | palstatin | C27H24O11

palstatin

  • Molecular FormulaC27H24O11
  • Average mass524.473 Da
  • Monoisotopic mass524.131836 Da
  • ChemSpider ID4481123

  • 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

4H-1-Benzopyran-4-one, 2-[(2R,3R)-2,3-dihydro-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-8-methoxy-1,4-benzodioxin-6-yl]-5,7-dihydroxy- [ACD/Index Name]
5,7-Dihydroxy-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-[(2R,3R)-3-(4-hydroxy-3,5-diméthoxyphényl)-2-(hydroxyméthyl)-8-méthoxy-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
palstatin
rel-5,7-dihydroxy-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one
5,7-Dihydroxy-2-[3-(4-hydroxy-3,5-dimethoxy-phenyl)-2-hydroxymethyl-8-methoxy-2,3-dihydro-benzo[1,4]dioxin-6-yl]-chromen-4-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 773.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 261.5±26.4 °C
Index of Refraction: 1.654
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 56.25
ACD/KOC (pH 5.5): 597.62
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 39.81
Polar Surface Area: 153 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 358.2±3.0 cm3

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