ChemSpider 2D Image | Diethyl (3R,4S,5R)-3-[2-methoxy-5-(2-phenyl-2-propanyl)phenyl]-2-(3-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate | C32H37NO6

Diethyl (3R,4S,5R)-3-[2-methoxy-5-(2-phenyl-2-propanyl)phenyl]-2-(3-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate

  • Molecular FormulaC32H37NO6
  • Average mass531.639 Da
  • Monoisotopic mass531.262085 Da
  • ChemSpider ID9730342

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4S,5R)-3-[2-Méthoxy-5-(2-phényl-2-propanyl)phényl]-2-(3-méthylphényl)-1,2-oxazolidine-4,5-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
4,5-Isoxazolidinedicarboxylic acid, 3-[2-methoxy-5-(1-methyl-1-phenylethyl)phenyl]-2-(3-methylphenyl)-, diethyl ester, (3R,4S,5R)- [ACD/Index Name]
Diethyl (3R,4S,5R)-3-[2-methoxy-5-(2-phenyl-2-propanyl)phenyl]-2-(3-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate [ACD/IUPAC Name]
Diethyl-(3R,4S,5R)-3-[2-methoxy-5-(2-phenyl-2-propanyl)phenyl]-2-(3-methylphenyl)-1,2-oxazolidin-4,5-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.2±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 148.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 42226.27
ACD/KOC (pH 5.5): 71215.55
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42226.31
ACD/KOC (pH 7.4): 71215.63
Polar Surface Area: 74 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 461.0±3.0 cm3

Click to predict properties on the Chemicalize site


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