ChemSpider 2D Image | 3-(3,4,5-Trimethoxyphenyl)propyl (2S)-1-(benzylsulfonyl)-2-piperidinecarboxylate | C25H33NO7S

3-(3,4,5-Trimethoxyphenyl)propyl (2S)-1-(benzylsulfonyl)-2-piperidinecarboxylate

  • Molecular FormulaC25H33NO7S
  • Average mass491.597 Da
  • Monoisotopic mass491.197784 Da
  • ChemSpider ID23194294

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(Benzylsulfonyl)-2-pipéridinecarboxylate de 3-(3,4,5-triméthoxyphényl)propyle [French] [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[(phenylmethyl)sulfonyl]-, 3-(3,4,5-trimethoxyphenyl)propyl ester, (2S)- [ACD/Index Name]
3-(3,4,5-Trimethoxyphenyl)propyl (2S)-1-(benzylsulfonyl)-2-piperidinecarboxylate [ACD/IUPAC Name]
3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate
3-(3,4,5-Trimethoxyphenyl)propyl-(2S)-1-(benzylsulfonyl)-2-piperidincarboxylat [German] [ACD/IUPAC Name]
(S)-1-Phenylmethanesulfonyl-piperidine-2-carboxylic acid 3-(3,4,5-trimethoxy-phenyl)-propyl ester

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

861 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 631.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.9±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 432.17
ACD/KOC (pH 5.5): 2680.43
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 432.17
ACD/KOC (pH 7.4): 2680.43
Polar Surface Area: 100 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 388.9±5.0 cm3

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