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Search term: WMPOZDRIYMQHEX-PLKNYFGKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,3R,4S)-2-{[(1-Phenylethyl)amino]methyl}-3,4-pyrrolidinediol | C13H20N2O2

(2R,3R,4S)-2-{[(1-Phenylethyl)amino]methyl}-3,4-pyrrolidinediol

  • Molecular FormulaC13H20N2O2
  • Average mass236.310 Da
  • Monoisotopic mass236.152481 Da
  • ChemSpider ID28646753

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R,3R,4S)-2-{[(1-Phenylethyl)amino]methyl}-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(2R,3R,4S)-2-{[(1-Phenylethyl)amino]methyl}-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2R,3R,4S)-2-{[(1-Phényléthyl)amino]méthyl}-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
3,4-Pyrrolidinediol, 2-[[(1-phenylethyl)amino]methyl]-, (2R,3R,4S)- [ACD/Index 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: 392.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 138.6±17.1 °C
Index of Refraction: 1.574
Molar Refractivity: 67.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -3.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 203.1±3.0 cm3

Click to predict properties on the Chemicalize site


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