ChemSpider 2D Image | N-tert-Butoxycarbonyl-2-(R)-methyl-6-(S)-(tetradecyl-13'-one)-piperidin-3-(R)-ol | C25H47NO4

N-tert-Butoxycarbonyl-2-(R)-methyl-6-(S)-(tetradecyl-13'-one)-piperidin-3-(R)-ol

  • Molecular FormulaC25H47NO4
  • Average mass425.645 Da
  • Monoisotopic mass425.350494 Da
  • ChemSpider ID28944723

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,6S)-3-Hydroxy-2-méthyl-6-(13-oxotétradécyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 3-hydroxy-2-methyl-6-(13-oxotetradecyl)-, 1,1-dimethylethyl ester, (2R,3R,6S)- [ACD/Index Name]
2-Methyl-2-propanyl (2R,3R,6S)-3-hydroxy-2-methyl-6-(13-oxotetradecyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2R,3R,6S)-3-hydroxy-2-methyl-6-(13-oxotetradecyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
N-tert-Butoxycarbonyl-2-(R)-methyl-6-(S )-(tetradecyl-13'-one)-piperidin-3-(R)-ol
N-tert-Butoxycarbonyl-2-(R)-methyl-6-(S)-(tetradecyl-13'-one)-piperidin-3-(R)-ol
  • Miscellaneous

    • Compound Source:

      Semisynthesis Susan Richardson [Structure found in DOI: 10.1248/cpb.56.407]
      Senna spectabilis (Fabaceae) Susan Richardson [Structure found in DOI: 10.1248/cpb.56.407]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 522.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 269.9±25.9 °C
Index of Refraction: 1.477
Molar Refractivity: 122.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12638.99
ACD/KOC (pH 5.5): 30032.67
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12638.99
ACD/KOC (pH 7.4): 30032.67
Polar Surface Area: 67 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 434.4±3.0 cm3

Click to predict properties on the Chemicalize site


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