ChemSpider 2D Image | 3-Hydroxy-1-[(9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-3-methyl-2-butanyl (2Z)-2-methyl-2-butenoate | C22H24O8

3-Hydroxy-1-[(9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-3-methyl-2-butanyl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC22H24O8
  • Average mass416.421 Da
  • Monoisotopic mass416.147125 Da
  • ChemSpider ID127380582

More details:

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

(2Z)-2-Méthyl-2-buténoate de 3-hydroxy-1-[(9-méthoxy-7-oxo-7H-furo[3,2-g]chromén-4-yl)oxy]-3-méthyl-2-butanyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, 2-hydroxy-1-[[(9-methoxy-7-oxo-7H-furo[3,2-g][1]benzopyran-4-yl)oxy]methyl]-2-methylpropyl ester, (2Z)- [ACD/Index Name]
3-Hydroxy-1-[(9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-3-methyl-2-butanyl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
3-Hydroxy-1-[(9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-3-methyl-2-butanyl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
[3-hydroxy-1-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)oxy-3-methylbutan-2-yl] (Z)-2-methylbut-2-enoate
116988-91-1 [RN]
BRD-A64271769-001-01-6
Isobyakangelicin angelate
Isobyakangelicin, 2'-O-Angeloyl

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

Density: 1.3±0.1 g/cm3
Boiling Point: 598.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 315.9±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 276.89
ACD/KOC (pH 5.5): 1949.01
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 276.89
ACD/KOC (pH 7.4): 1949.01
Polar Surface Area: 104 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 325.4±3.0 cm3

Click to predict properties on the Chemicalize site


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