ChemSpider 2D Image | (2S,3R,4S,5S)-2-Methyl-5-(4-methylphenyl)-3,4-pyrrolidinediol | C12H17NO2

(2S,3R,4S,5S)-2-Methyl-5-(4-methylphenyl)-3,4-pyrrolidinediol

  • Molecular FormulaC12H17NO2
  • Average mass207.269 Da
  • Monoisotopic mass207.125931 Da
  • ChemSpider ID35033953

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4S,5S)-2-Methyl-5-(4-methylphenyl)-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(2S,3R,4S,5S)-2-Methyl-5-(4-methylphenyl)-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2S,3R,4S,5S)-2-Méthyl-5-(4-méthylphényl)-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
(2s,3r,4s,5s)-2-Methyl-5-(4-Methylphenyl)pyrrolidine-3,4-Diol
3,4-Pyrrolidinediol, 2-methyl-5-(4-methylphenyl)-, (2S,3R,4S,5S)- [ACD/Index Name]
K80

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

Density: 1.2±0.1 g/cm3
Boiling Point: 366.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 147.1±18.5 °C
Index of Refraction: 1.572
Molar Refractivity: 59.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.28
Polar Surface Area: 52 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 179.2±3.0 cm3

Click to predict properties on the Chemicalize site


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