ChemSpider 2D Image | (2R)-2-[(2-Sulfonatoethyl)ammonio]propanoate | C5H10NO5S

(2R)-2-[(2-Sulfonatoethyl)ammonio]propanoate

  • Molecular FormulaC5H10NO5S
  • Average mass196.202 Da
  • Monoisotopic mass196.028519 Da
  • ChemSpider ID26330912

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(2-Sulfonatoethyl)ammonio]propanoat [German] [ACD/IUPAC Name]
(2R)-2-[(2-Sulfonatoethyl)ammonio]propanoate [ACD/IUPAC Name]
(2R)-2-[(2-Sulfonatoéthyl)ammonio]propanoate [French] [ACD/IUPAC Name]
D-Alanine, N-(2-sulfoethyl)-, inner salt, ion(1-) [ACD/Index Name]
(2R)-2-[(2-sulfonatoethyl)azaniumyl]propanoate
tauropinate anion
tauropinate(1-)
Tauropine
tauropine anion
  • Miscellaneous

    • Chemical Class:

      Conjugate base of tauropine in which the carboxy and sulfo groups are anionic and the amino group is protonated; major species at pH 7.3. ChEBI CHEBI:57779

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.94
ACD/LogD (pH 5.5): -5.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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