ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (4R)-2-{[(4S)-2,2-dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-4-yl]methyl}-6-methyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate | C33H48N2O7

Bis(2-methyl-2-propanyl) (4R)-2-{[(4S)-2,2-dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-4-yl]methyl}-6-methyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC33H48N2O7
  • Average mass584.743 Da
  • Monoisotopic mass584.346130 Da
  • ChemSpider ID9116137

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-2-{[(4S)-2,2-Diméthyl-3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-4-yl]méthyl}-6-méthyl-4-phényl-1,4-dihydro-3,5-pyridinedicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 2-[[(4S)-3-[(1,1-dimethylethoxy)carbonyl]-2,2-dimethyl-4-oxazolidinyl]methyl]-1,4-dihydro-6-methyl-4-phenyl-, bis(1,1-dimethylethyl) ester, (4R)- [ACD/Index Name]
Bis(2-methyl-2-propanyl) (4R)-2-{[(4S)-2,2-dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-4-yl]methyl}-6-methyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(4R)-2-{[(4S)-2,2-dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-4-yl]methyl}-6-methyl-4-phenyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [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: 639.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.6±31.5 °C
Index of Refraction: 1.517
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 71630.47
ACD/KOC (pH 5.5): 103913.99
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 71736.88
ACD/KOC (pH 7.4): 104068.37
Polar Surface Area: 103 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 529.6±3.0 cm3

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