ChemSpider 2D Image | 2-{(1R,2S,5E)-8-[(2,2-Dimethylpropanoyl)oxy]-1-hydroxy-2-isopropyl-5-methyl-5-octen-1-yl}-5-[(tetrahydro-2H-pyran-2-yloxy)methyl]-3-furoic acid | C28H44O8

2-{(1R,2S,5E)-8-[(2,2-Dimethylpropanoyl)oxy]-1-hydroxy-2-isopropyl-5-methyl-5-octen-1-yl}-5-[(tetrahydro-2H-pyran-2-yloxy)methyl]-3-furoic acid

  • Molecular FormulaC28H44O8
  • Average mass508.644 Da
  • Monoisotopic mass508.303619 Da
  • ChemSpider ID9071737

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-{(1R,2S,5E)-8-[(2,2-Dimethylpropanoyl)oxy]-1-hydroxy-2-isopropyl-5-methyl-5-octen-1-yl}-5-[(tetrahydro-2H-pyran-2-yloxy)methyl]-3-furoesäure [German] [ACD/IUPAC Name]
2-{(1R,2S,5E)-8-[(2,2-Dimethylpropanoyl)oxy]-1-hydroxy-2-isopropyl-5-methyl-5-octen-1-yl}-5-[(tetrahydro-2H-pyran-2-yloxy)methyl]-3-furoic acid [ACD/IUPAC Name]
3-Furancarboxylic acid, 2-[(1R,2S,5E)-8-(2,2-dimethyl-1-oxopropoxy)-1-hydroxy-5-methyl-2-(1-methylethyl)-5-octen-1-yl]-5-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]- [ACD/Index Name]
Acide 2-{(1R,2S,5E)-8-[(2,2-diméthylpropanoyl)oxy]-1-hydroxy-2-isopropyl-5-méthyl-5-octén-1-yl}-5-[(tétrahydro-2H-pyran-2-yloxy)méthyl]-3-furoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 634.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 337.5±31.5 °C
Index of Refraction: 1.524
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 214.83
ACD/KOC (pH 5.5): 625.52
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 7.12
ACD/KOC (pH 7.4): 20.73
Polar Surface Area: 115 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 446.2±5.0 cm3

Click to predict properties on the Chemicalize site


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