ChemSpider 2D Image | (2S,3R,4S,5S)-2-Methyl-5-(1-phenyl-1H-1,2,3-triazol-4-yl)-3,4-pyrrolidinediol | C13H16N4O2

(2S,3R,4S,5S)-2-Methyl-5-(1-phenyl-1H-1,2,3-triazol-4-yl)-3,4-pyrrolidinediol

  • Molecular FormulaC13H16N4O2
  • Average mass260.292 Da
  • Monoisotopic mass260.127319 Da
  • ChemSpider ID35034891

  • 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-(1-phenyl-1H-1,2,3-triazol-4-yl)-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(2S,3R,4S,5S)-2-Methyl-5-(1-phenyl-1H-1,2,3-triazol-4-yl)-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2S,3R,4S,5S)-2-Méthyl-5-(1-phényl-1H-1,2,3-triazol-4-yl)-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
(2s,3r,4s,5s)-2-Methyl-5-(1-Phenyl-1h-1,2,3-Triazol-4-Yl)pyrrolidine-3,4-Diol
3,4-Pyrrolidinediol, 2-methyl-5-(1-phenyl-1H-1,2,3-triazol-4-yl)-, (2S,3R,4S,5S)- [ACD/Index Name]
2OX

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

Density: 1.5±0.1 g/cm3
Boiling Point: 496.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 254.2±31.5 °C
Index of Refraction: 1.724
Molar Refractivity: 69.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.12
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.76
Polar Surface Area: 83 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 175.0±7.0 cm3

Click to predict properties on the Chemicalize site


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