ChemSpider 2D Image | (2S,2'S)-3,3'-(1,2-Ethanediyldisulfanediyl)bis(2-aminopropanoic acid) (non-preferred name) | C8H16N2O4S2

(2S,2'S)-3,3'-(1,2-Ethanediyldisulfanediyl)bis(2-aminopropanoic acid) (non-preferred name)

  • Molecular FormulaC8H16N2O4S2
  • Average mass268.354 Da
  • Monoisotopic mass268.055145 Da
  • ChemSpider ID75257155

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'S)-3,3'-(1,2-Ethandiyldisulfandiyl)bis(2-aminopropansäure) (non-preferred name) [German] [ACD/IUPAC Name]
(2S,2'S)-3,3'-(1,2-Ethanediyldisulfanediyl)bis(2-aminopropanoic acid) (non-preferred name) [ACD/IUPAC Name]
Acide (2S,2'S)-3,3'-(1,2-éthanediyldisulfanediyl)bis(2-aminopropanoïque) (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 534.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.7±6.0 kJ/mol
Flash Point: 277.0±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 65.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 75.6±3.0 dyne/cm
Molar Volume: 185.9±3.0 cm3

Click to predict properties on the Chemicalize site


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