ChemSpider 2D Image | 1-{[(5S)-5-Ammonio-5-carboxylatopentyl]ammonio}-1-deoxy-D-psicose | C12H25N2O7


  • Molecular FormulaC12H25N2O7
  • Average mass309.336 Da
  • Monoisotopic mass309.165619 Da
  • ChemSpider ID26332220
  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-{[(5S)-5-Ammonio-5-carboxylatopentyl]ammonio}-1-deoxy-D-psicose [ACD/IUPAC Name]
1-{[(5S)-5-Ammonio-5-carboxylatopentyl]ammonio}-1-désoxy-D-psicose [French] [ACD/IUPAC Name]
D-Psicose, 1-[[(5S)-5-amino-5-carboxypentyl]amino]-1-deoxy-, inner salt, conjugate acid [ACD/Index Name]
psicosyllysine cation
  • Miscellaneous
    • Chemical Class:

      An amino-acid cation comprising psicosyllysine having a deprotonated carboxy group and both amino groups protonated; major species at pH 7.3. ChEBI CHEBI:61403

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 654.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 349.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -5.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Surface Tension:
Molar Volume:

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