ChemSpider 2D Image | 3-(Allylsulfinyl)-2-ammoniopropanoate | C6H9NO3S

3-(Allylsulfinyl)-2-ammoniopropanoate

  • Molecular FormulaC6H9NO3S
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID24784836

  • Charge - Charge

More details:

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

3-(Allylsulfinyl)-2-ammoniopropanoat [German] [ACD/IUPAC Name]
3-(Allylsulfinyl)-2-ammoniopropanoate [ACD/IUPAC Name]
3-(Allylsulfinyl)-2-ammoniopropanoate [French] [ACD/IUPAC Name]
Alanine, 3-(2-propen-1-ylsulfinyl)- [ACD/Index Name]
(+)-L-Alliin*3-(Allylsulfinyl)alanin*S-Allyl-L-cystein-S-oxid*(S)-S-Allyl-L-cysteine sulfoxide*(S)-3-(Allylsulphinyl)-L-alanine*ACSO
alliin [Wiki]

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

Density:
Boiling Point: 416.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±6.0 kJ/mol
Flash Point: 205.5±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -3.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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