ChemSpider 2D Image | 2-Methyl-2-propanyl (2R,4R)-2-{4-[(1S)-3-amino-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxopropyl]phenyl}-4-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylate | C24H37N3O8S

2-Methyl-2-propanyl (2R,4R)-2-{4-[(1S)-3-amino-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxopropyl]phenyl}-4-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylate

  • Molecular FormulaC24H37N3O8S
  • Average mass527.631 Da
  • Monoisotopic mass527.230164 Da
  • ChemSpider ID9504924

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,4R)-2-{4-[(1S)-3-Amino-1-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-oxopropyl]phényl}-4-[(méthylsulfonyl)oxy]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[4-[(1S)-3-amino-1-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxopropyl]phenyl]-4-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester, (2R,4R)- [ACD/Index Name]
2-Methyl-2-propanyl (2R,4R)-2-{4-[(1S)-3-amino-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxopropyl]phenyl}-4-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2R,4R)-2-{4-[(1S)-3-amino-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxopropyl]phenyl}-4-[(methylsulfonyl)oxy]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 736.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.1±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.78
ACD/KOC (pH 5.5): 385.48
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.77
ACD/KOC (pH 7.4): 385.45
Polar Surface Area: 163 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 412.5±5.0 cm3

Click to predict properties on the Chemicalize site


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