ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,4R)-2-(hydroxymethyl)-4-(tetrahydro-2H-pyran-2-yloxy)-1-pyrrolidinecarboxylate | C15H27NO5

2-Methyl-2-propanyl (2S,4R)-2-(hydroxymethyl)-4-(tetrahydro-2H-pyran-2-yloxy)-1-pyrrolidinecarboxylate

  • Molecular FormulaC15H27NO5
  • Average mass301.379 Da
  • Monoisotopic mass301.188934 Da
  • ChemSpider ID71045579

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,4R)-2-(Hydroxyméthyl)-4-(tétrahydro-2H-pyran-2-yloxy)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-4-[(tetrahydro-2H-pyran-2-yl)oxy]-, 1,1-dimethylethyl ester, (2S,4R)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,4R)-2-(hydroxymethyl)-4-(tetrahydro-2H-pyran-2-yloxy)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,4R)-2-(hydroxymethyl)-4-(tetrahydro-2H-pyran-2-yloxy)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
185951-15-9 [RN]
MFCD30834456
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)pyrrolidine-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 416.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 205.5±28.7 °C
Index of Refraction: 1.512
Molar Refractivity: 78.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 48.93
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.61
ACD/KOC (pH 7.4): 48.93
Polar Surface Area: 68 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 260.1±5.0 cm3

Click to predict properties on the Chemicalize site


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