ChemSpider 2D Image | Ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{2-[(pentylsulfonyl)(propyl)amino]ethyl}-3-pyrrolidinecarboxylate | C32H44N2O8S

Ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{2-[(pentylsulfonyl)(propyl)amino]ethyl}-3-pyrrolidinecarboxylate

  • Molecular FormulaC32H44N2O8S
  • Average mass616.765 Da
  • Monoisotopic mass616.281860 Da
  • ChemSpider ID8969203

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{2-[(pentylsulfonyl)(propyl)amino]éthyl}-3-pyrrolidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-[(pentylsulfonyl)propylamino]ethyl]-, ethyl ester, (2R,3R,4S)- [ACD/Index Name]
Ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{2-[(pentylsulfonyl)(propyl)amino]ethyl}-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Ethyl-(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{2-[(pentylsulfonyl)(propyl)amino]ethyl}-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 694.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.1±34.3 °C
Index of Refraction: 1.566
Molar Refractivity: 163.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 168.63
ACD/KOC (pH 5.5): 529.82
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3509.03
ACD/KOC (pH 7.4): 11025.23
Polar Surface Area: 112 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 500.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement