ChemSpider 2D Image | 4,4-Bis(6,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2-methoxybutanoic acid | C25H22O11

4,4-Bis(6,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2-methoxybutanoic acid

  • Molecular FormulaC25H22O11
  • Average mass498.436 Da
  • Monoisotopic mass498.116211 Da
  • ChemSpider ID22369919

More details:

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

1H-2-Benzopyran-7-butanoic acid, γ-(6,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)-6,8-dihydroxy-α-methoxy-3-methyl-1-oxo- [ACD/Index Name]
4,4-Bis(6,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2-methoxybutanoic acid [ACD/IUPAC Name]
4,4-Bis(6,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2-methoxybutansäure [German] [ACD/IUPAC Name]
Acide 4,4-bis(6,8-dihydroxy-3-méthyl-1-oxo-1H-isochromén-7-yl)-2-méthoxybutanoïque [French] [ACD/IUPAC Name]
4,4-Bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid
BRD-A67405285-001-01-2
Compound NP-011427

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

Density: 1.5±0.1 g/cm3
Boiling Point: 911.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.8±3.0 kJ/mol
Flash Point: 312.9±27.8 °C
Index of Refraction: 1.678
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 18.70
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 322.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement