ChemSpider 2D Image | L-homolanthionine | C8H16N2O4S

L-homolanthionine

  • Molecular FormulaC8H16N2O4S
  • Average mass236.289 Da
  • Monoisotopic mass236.083084 Da
  • ChemSpider ID26332898

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-homolanthionine
31982-10-2 [RN]
Homolanthionine
L-Homocysteine, S-[(3S)-3-amino-3-carboxypropyl]- [ACD/Index Name]
S-[(3S)-3-Amino-3-carboxypropyl]-L-homocystein [German] [ACD/IUPAC Name]
S-[(3S)-3-Amino-3-carboxypropyl]-L-homocysteine [ACD/IUPAC Name]
S-[(3S)-3-Amino-3-carboxypropyl]-L-homocystéine [French] [ACD/IUPAC Name]
(2S,2'S)-4,4'-sulfanediylbis(2-aminobutanoic acid)
(2S,2'S)-4,4'-sulfanediylbis(2-aminobutanoic acid); S-[(3S)-3-amino-3-carboxypropyl]-L-homocysteine
(2S,2'S)-4,4'-sulfanediylbis(2-azaniumylbutanoate)
More...
  • Miscellaneous

    • Chemical Class:

      A sulfur-containing amino acid in which the <locant>gamma</locant>-carbon atoms of two molecules of <stereo>L</stereo>-aminobutyric acid are joined via a thioether linkage. It is a byproduct of cystat hionine-gamma-lyase and a possible human hyperhomocysteinemia marker. ChEBI CHEBI:62856
      A sulfur-containing amino acid in which the gamma-carbon atoms of two molecules of L-aminobutyric acid are joined via a thioether linkage. It is a byproduct of cystat; hionine-gamma-lyase and a possib le human hyperhomocysteinemia marker. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62856
      A sulfur-containing amino acid in which the gamma-carbon atoms of two molecules of L-aminobutyric acid are joined via a thioether linkage. It is a byproduct of cystathionine-gamma-lyase and a possible human hyperhomocysteinemia marker. ChEBI CHEBI:62856
      An L-alpha-amino acid zwitterion that is the dizwitterionic form of L-homolanthionine obtained by migration of protons from both carboxy groups to the amino groups; major species at pH 7.3. ChEBI CHEBI:178194

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

Density: 1.4±0.1 g/cm3
Boiling Point: 499.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 255.9±28.7 °C
Index of Refraction: 1.580
Molar Refractivity: 57.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 171.9±3.0 cm3

Click to predict properties on the Chemicalize site


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