ChemSpider 2D Image | 2-{[Iminio(phosphonatoamino)methyl]amino}ethanesulfonate | C3H8N3O6PS

2-{[Iminio(phosphonatoamino)methyl]amino}ethanesulfonate

  • Molecular FormulaC3H8N3O6PS
  • Average mass245.152 Da
  • Monoisotopic mass244.988235 Da
  • ChemSpider ID26330937

  • Charge - Charge

More details:

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

2-{[Iminio(phosphonatoamino)methyl]amino}ethanesulfonate [ACD/IUPAC Name]
2-{[Iminio(phosphonatoamino)méthyl]amino}éthanesulfonate [French] [ACD/IUPAC Name]
2-{[Iminio(phosphonatoamino)methyl]amino}ethansulfonat [German] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[[imino(phosphonoamino)methyl]amino]-, inner salt, ion(2-) [ACD/Index Name]
N-phosphonatotaurocyamine dianion
N-phosphonatotaurocyamine(2-)
N-Phosphotaurocyamine
  • Miscellaneous

    • Chemical Class:

      Dianion of N-phosphotaurocyamine arising from deprotonation of phosphoramidate and sulfonate OH groups and protonation of the guanidino group; major species at pH 7.3. ChEBI CHEBI:57838

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: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -4.80
ACD/LogD (pH 5.5): -9.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability:
Surface Tension:
Molar Volume:

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