Found 94 results

Search term: MF = 'C_{6}H_{12}N_{2}O_{6}S'
ChemSpider 2D Image | N-(2-Sulfoethyl)-L-alpha-asparagine | C6H12N2O6S

N-(2-Sulfoethyl)-L-α-asparagine

  • Molecular FormulaC6H12N2O6S
  • Average mass240.234 Da
  • Monoisotopic mass240.041611 Da
  • ChemSpider ID57561944

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-(2-Sulfoethyl)-L-α-asparagin [German] [ACD/IUPAC Name]
N-(2-Sulfoethyl)-L-α-asparagine [ACD/IUPAC Name]
N-(2-Sulfoéthyl)-L-α-asparagine [French] [ACD/IUPAC Name]
(S)-3-Amino-4-oxo-4-((2-sulfoethyl)amino)butanoic acid
87047-23-2 [RN]
aspartyltaurine

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 49.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -3.12
ACD/LogD (pH 5.5): -6.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 80.9±3.0 dyne/cm
Molar Volume: 150.7±3.0 cm3

Click to predict properties on the Chemicalize site


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