ChemSpider 2D Image | (4-{[3-(2-Hydroxy-6-methyl-4-oxo-4H-pyran-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoyl]amino}phenyl)acetic acid | C26H27NO9

(4-{[3-(2-Hydroxy-6-methyl-4-oxo-4H-pyran-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoyl]amino}phenyl)acetic acid

  • Molecular FormulaC26H27NO9
  • Average mass497.494 Da
  • Monoisotopic mass497.168579 Da
  • ChemSpider ID64973364

More details:

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

(4-{[3-(2-Hydroxy-6-methyl-4-oxo-4H-pyran-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoyl]amino}phenyl)acetic acid [ACD/IUPAC Name]
(4-{[3-(2-Hydroxy-6-methyl-4-oxo-4H-pyran-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoyl]amino}phenyl)essigsäure [German] [ACD/IUPAC Name]
Acide (4-{[3-(2-hydroxy-6-méthyl-4-oxo-4H-pyran-3-yl)-3-(2,3,4-triméthoxyphényl)propanoyl]amino}phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[[3-(2-hydroxy-6-methyl-4-oxo-4H-pyran-3-yl)-1-oxo-3-(2,3,4-trimethoxyphenyl)propyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 786.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.5±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 129.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.50
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 364.0±3.0 cm3

Click to predict properties on the Chemicalize site


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