ChemSpider 2D Image | 4n-Malonyl-Cysteinyl-2,4-Diaminobutyrate Disulfide | C20H32N6O12S2

4n-Malonyl-Cysteinyl-2,4-Diaminobutyrate Disulfide

  • Molecular FormulaC20H32N6O12S2
  • Average mass612.631 Da
  • Monoisotopic mass612.151978 Da
  • ChemSpider ID396022

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,2'S)-4,4'-[Disulfandiylbis({(2S)-2-[(carboxyacetyl)amino]-1-oxo-3,1-propandiyl}imino)]bis(2-aminobutansäure) [German] [ACD/IUPAC Name]
(2S,2'S)-4,4'-[Disulfanediylbis({(2S)-2-[(carboxyacetyl)amino]-1-oxo-3,1-propanediyl}imino)]bis(2-aminobutanoic acid) [ACD/IUPAC Name]
4n-Malonyl-Cysteinyl-2,4-Diaminobutyrate Disulfide
Acide (2S,2'S)-4,4'-[disulfanediylbis({(2S)-2-[(2-carboxyacétyl)amino]-1-oxo-3,1-propanediyl}imino)]bis(2-aminobutanoïque) [French] [ACD/IUPAC Name]
Butanoic acid, 4,4'-[dithiobis[[(2S)-2-[(2-carboxyacetyl)amino]-1-oxo-3,1-propanediyl]imino]]bis[2-amino-, (2S,2'S)- [ACD/Index Name]
RGS

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1200.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 192.6±6.0 kJ/mol
Flash Point: 679.7±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -6.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 368 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 81.8±3.0 dyne/cm
Molar Volume: 397.7±3.0 cm3

Click to predict properties on the Chemicalize site


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