ChemSpider 2D Image | (4R,5S)-3-[(2R)-2-{(2S,2'R,4S,5S,5'R)-2,5'-Diethyl-5'-[(1S)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one | C29H43NO6

(4R,5S)-3-[(2R)-2-{(2S,2'R,4S,5S,5'R)-2,5'-Diethyl-5'-[(1S)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

  • Molecular FormulaC29H43NO6
  • Average mass501.655 Da
  • Monoisotopic mass501.309052 Da
  • ChemSpider ID35033882

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4R,5S)-3-[(2R)-2-{(2S,2'R,4S,5S,5'R)-2,5'-Diethyl-5'-[(1S)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4R,5S)-3-[(2R)-2-{(2S,2'R,4S,5S,5'R)-2,5'-Diethyl-5'-[(1S)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4R,5S)-3-[(2R)-2-{(2S,2'R,4S,5S,5'R)-2,5'-Diéthyl-5'-[(1S)-1-hydroxyéthyl]-4-méthyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-méthyl-5-phényl-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 3-[(2R)-2-[(2S,2'R,4S,5S,5'R)-2,5'-diethyloctahydro-5'-[(1S)-1-hydroxyethyl]-4-methyl[2,2'-bifuran]-5-yl]-1-oxobutyl]-4-methyl-5-phenyl-, (4R,5S)- [ACD/Index Name]
ILD

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

Density: 1.1±0.1 g/cm3
Boiling Point: 628.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.7±28.7 °C
Index of Refraction: 1.522
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1034.98
ACD/KOC (pH 5.5): 5008.28
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1034.98
ACD/KOC (pH 7.4): 5008.28
Polar Surface Area: 85 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 448.1±3.0 cm3

Click to predict properties on the Chemicalize site


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