ChemSpider 2D Image | (2S,3S,4R,5S)-2-(4-Methoxyphenyl)-5-methyl-3,4-pyrrolidinediol | C12H17NO3

(2S,3S,4R,5S)-2-(4-Methoxyphenyl)-5-methyl-3,4-pyrrolidinediol

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID35033662

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5S)-2-(4-Methoxyphenyl)-5-methyl-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(2S,3S,4R,5S)-2-(4-Methoxyphenyl)-5-methyl-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2S,3S,4R,5S)-2-(4-Méthoxyphényl)-5-méthyl-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
(2s,3s,4r,5s)-2-(4-Methoxyphenyl)-5-Methylpyrrolidine-3,4-Diol
3,4-Pyrrolidinediol, 2-(4-methoxyphenyl)-5-methyl-, (2S,3S,4R,5S)- [ACD/Index Name]
1KN

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

Density: 1.2±0.1 g/cm3
Boiling Point: 388.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 188.6±27.9 °C
Index of Refraction: 1.564
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -2.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.12
Polar Surface Area: 62 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 186.9±3.0 cm3

Click to predict properties on the Chemicalize site


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