ChemSpider 2D Image | 4-(3-Hydroxybutanoyl)-2-[(1E,3E)-5-hydroxy-1,3-hexadien-1-yl]-5-methoxy-2-methyl-3(2H)-furanone | C16H22O6

4-(3-Hydroxybutanoyl)-2-[(1E,3E)-5-hydroxy-1,3-hexadien-1-yl]-5-methoxy-2-methyl-3(2H)-furanone

  • Molecular FormulaC16H22O6
  • Average mass310.342 Da
  • Monoisotopic mass310.141632 Da
  • ChemSpider ID24715562

  • Double-bond stereo - Double-bond stereo

More details:

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

3(2H)-Furanone, 2-[(1E,3E)-5-hydroxy-1,3-hexadien-1-yl]-4-(3-hydroxy-1-oxobutyl)-5-methoxy-2-methyl- [ACD/Index Name]
4-(3-Hydroxybutanoyl)-2-[(1E,3E)-5-hydroxy-1,3-hexadien-1-yl]-5-methoxy-2-methyl-3(2H)-furanon [German] [ACD/IUPAC Name]
4-(3-Hydroxybutanoyl)-2-[(1E,3E)-5-hydroxy-1,3-hexadien-1-yl]-5-methoxy-2-methyl-3(2H)-furanone [ACD/IUPAC Name]
4-(3-Hydroxybutanoyl)-2-[(1E,3E)-5-hydroxy-1,3-hexadién-1-yl]-5-méthoxy-2-méthyl-3(2H)-furanone [French] [ACD/IUPAC Name]
penicilliol B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 181.6±23.6 °C
Index of Refraction: 1.538
Molar Refractivity: 80.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.62
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.20
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.20
Polar Surface Area: 93 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 256.0±5.0 cm3

Click to predict properties on the Chemicalize site


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