ChemSpider 2D Image | 1,3-Bis(benzyloxy)-2-propanyl (2S)-1-[(4-chloro-2,5-dimethoxyphenyl)sulfamoyl]-2-piperidinecarboxylate | C31H37ClN2O8S

1,3-Bis(benzyloxy)-2-propanyl (2S)-1-[(4-chloro-2,5-dimethoxyphenyl)sulfamoyl]-2-piperidinecarboxylate

  • Molecular FormulaC31H37ClN2O8S
  • Average mass633.152 Da
  • Monoisotopic mass632.195923 Da
  • ChemSpider ID8321482

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-[(4-Chloro-2,5-diméthoxyphényl)sulfamoyl]-2-pipéridinecarboxylate de 1,3-bis(benzyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis(benzyloxy)-2-propanyl (2S)-1-[(4-chloro-2,5-dimethoxyphenyl)sulfamoyl]-2-piperidinecarboxylate [ACD/IUPAC Name]
1,3-Bis(benzyloxy)-2-propanyl-(2S)-1-[(4-chlor-2,5-dimethoxyphenyl)sulfamoyl]-2-piperidincarboxylat [German] [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[[(4-chloro-2,5-dimethoxyphenyl)amino]sulfonyl]-, 2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethyl ester, (2S)- [ACD/Index 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: 739.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.1±35.7 °C
Index of Refraction: 1.612
Molar Refractivity: 164.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 34538.42
ACD/KOC (pH 5.5): 61633.44
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 29266.87
ACD/KOC (pH 7.4): 52226.42
Polar Surface Area: 121 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 472.3±5.0 cm3

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