ChemSpider 2D Image | (2S,3S,4R,5S)-2-Ethynyl-5-methyl-3,4-pyrrolidinediol | C7H11NO2

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

  • Molecular FormulaC7H11NO2
  • Average mass141.168 Da
  • Monoisotopic mass141.078979 Da
  • ChemSpider ID35036018

  • 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-Ethinyl-5-methyl-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(2S,3S,4R,5S)-2-Ethynyl-5-methyl-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2S,3S,4R,5S)-2-Éthynyl-5-méthyl-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
(2s,3s,4r,5s)-2-Ethynyl-5-Methylpyrrolidine-3,4-Diol
3,4-Pyrrolidinediol, 2-ethynyl-5-methyl-, (2S,3S,4R,5S)- [ACD/Index Name]
H76

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

Density: 1.2±0.1 g/cm3
Boiling Point: 249.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.6±6.0 kJ/mol
Flash Point: 120.8±17.9 °C
Index of Refraction: 1.548
Molar Refractivity: 36.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -3.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 52 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 116.1±5.0 cm3

Click to predict properties on the Chemicalize site


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