ChemSpider 2D Image | Aureothin | C22H23NO6

Aureothin

  • Molecular FormulaC22H23NO6
  • Average mass397.421 Da
  • Monoisotopic mass397.152527 Da
  • ChemSpider ID28556899
  • Double-bond stereo - Double-bond stereo


More details:






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

2-Methoxy-3,5-dimethyl-6-{(5Z)-5-[(2E)-2-methyl-3-(4-nitrophenyl)-2-propen-1-yliden]tetrahydro-2-furanyl}-4H-pyran-4-on [German] [ACD/IUPAC Name]
2-Methoxy-3,5-dimethyl-6-{(5Z)-5-[(2E)-2-methyl-3-(4-nitrophenyl)-2-propen-1-ylidene]tetrahydro-2-furanyl}-4H-pyran-4-one [ACD/IUPAC Name]
2-Méthoxy-3,5-diméthyl-6-{(5Z)-5-[(2E)-2-méthyl-3-(4-nitrophényl)-2-propén-1-ylidène]tétrahydro-2-furanyl}-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-[(5Z)-tetrahydro-5-[(2E)-2-methyl-3-(4-nitrophenyl)-2-propen-1-ylidene]-2-furanyl]- [ACD/Index Name]
Aureothin

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

G359FGQ2RB [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 585.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 232.0±32.1 °C
Index of Refraction: 1.594
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 330.97
ACD/KOC (pH 5.5): 2214.47
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 330.97
ACD/KOC (pH 7.4): 2214.47
Polar Surface Area: 91 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 313.5±5.0 cm3

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