ChemSpider 2D Image | 2-Methyl 1-(2-methyl-2-propanyl) (2R,5R)-2-{(S)-hydroxy[(2S,4S)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-phenyl-1,3-oxazolidin-4-yl]methyl}-5-(2-methyl-1-propen-1-yl)-1,2-pyrrolidinedicarboxylate | C30H44N2O8

2-Methyl 1-(2-methyl-2-propanyl) (2R,5R)-2-{(S)-hydroxy[(2S,4S)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-phenyl-1,3-oxazolidin-4-yl]methyl}-5-(2-methyl-1-propen-1-yl)-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC30H44N2O8
  • Average mass560.679 Da
  • Monoisotopic mass560.309753 Da
  • ChemSpider ID30658645

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,5R)-2-{(S)-Hydroxy[(2S,4S)-3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-phényl-1,3-oxazolidin-4-yl]méthyl}-5-(2-méthyl-1-propén-1-yl)-1,2-pyrrolidinedicarboxylate de 2-méthyle et de 1-(2-méthyl-2-prop anyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 2-[(S)-[(2S,4S)-3-[(1,1-dimethylethoxy)carbonyl]-2-phenyl-4-oxazolidinyl]hydroxymethyl]-5-(2-methyl-1-propen-1-yl)-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,5R)- [ACD/Index Name]
2-Methyl 1-(2-methyl-2-propanyl) (2R,5R)-2-{(S)-hydroxy[(2S,4S)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-phenyl-1,3-oxazolidin-4-yl]methyl}-5-(2-methyl-1-propen-1-yl)-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-(2R,5R)-2-{(S)-hydroxy[(2S,4S)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-phenyl-1,3-oxazolidin-4-yl]methyl}-5-(2-methyl-1-propen-1-yl)-1,2-pyrrolidindicarboxylat [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: 634.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 337.4±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10365.85
ACD/KOC (pH 5.5): 26059.10
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10365.85
ACD/KOC (pH 7.4): 26059.10
Polar Surface Area: 115 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 466.5±3.0 cm3

Click to predict properties on the Chemicalize site


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