ChemSpider 2D Image | 3-({[(2R)-2-Amino-2-carboxyethyl]sulfanyl}methyl)-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-olate | C12H21N2O3S

3-({[(2R)-2-Amino-2-carboxyethyl]sulfanyl}methyl)-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-olate

  • Molecular FormulaC12H21N2O3S
  • Average mass273.372 Da
  • Monoisotopic mass273.127838 Da
  • ChemSpider ID21473533

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-({[(2R)-2-Amino-2-carboxyethyl]sulfanyl}methyl)-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-olat [German] [ACD/IUPAC Name]
3-({[(2R)-2-Amino-2-carboxyethyl]sulfanyl}methyl)-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-olate [ACD/IUPAC Name]
3-({[(2R)-2-Amino-2-carboxyéthyl]sulfanyl}méthyl)-2,2,5,5-tétraméthyl-2,5-dihydro-1H-pyrrol-1-olate [French] [ACD/IUPAC Name]
L-Cysteine, S-[(2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-, ion(1-) [ACD/Index Name]
L-2-Amino-3-[thiomethyl-1-(1-oxyl-2,2,5,5-tetramethyl-3-pyrrolinyl)]propionic acid

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

Density:
Boiling Point: 418.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±6.0 kJ/mol
Flash Point: 206.6±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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