ChemSpider 2D Image | 5,7-Dihydroxy-2-{3-hydroxy-4-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]phenyl}-4H-chromen-4-one | C25H22O10

5,7-Dihydroxy-2-{3-hydroxy-4-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]phenyl}-4H-chromen-4-one

  • Molecular FormulaC25H22O10
  • Average mass482.436 Da
  • Monoisotopic mass482.121307 Da
  • ChemSpider ID26614227

More details:

Featured data source
Natural Product Updates

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[3-hydroxy-4-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]phenyl]- [ACD/Index Name]
5,7-Dihydroxy-2-{3-hydroxy-4-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]phenyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-{3-hydroxy-4-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]phenyl}-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-{3-hydroxy-4-[2-méthoxy-4-(1,2,3-trihydroxypropyl)phénoxy]phényl}-4H-chromén-4-one [French] [ACD/IUPAC Name]
pterospermin A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 820.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 282.7±27.8 °C
Index of Refraction: 1.708
Molar Refractivity: 121.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.14
ACD/KOC (pH 5.5): 92.48
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.24
Polar Surface Area: 166 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 81.5±3.0 dyne/cm
Molar Volume: 312.1±3.0 cm3

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