ChemSpider 2D Image | (3R,4S)-1,3,4-Trihydroxy-3,4-dihydro-2H-pyrrolium | C4H8NO3

(3R,4S)-1,3,4-Trihydroxy-3,4-dihydro-2H-pyrrolium

  • Molecular FormulaC4H8NO3
  • Average mass118.111 Da
  • Monoisotopic mass118.049873 Da
  • ChemSpider ID77410782

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-1,3,4-Trihydroxy-3,4-dihydro-2H-pyrrolium [German] [ACD/IUPAC Name]
(3R,4S)-1,3,4-Trihydroxy-3,4-dihydro-2H-pyrrolium [ACD/IUPAC Name]
(3R,4S)-1,3,4-Trihydroxy-3,4-dihydro-2H-pyrrolium [French] [ACD/IUPAC Name]
2H-Pyrrolium, 3,4-dihydro-1,3,4-trihydroxy-, (3R,4S)- [ACD/Index Name]

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

Density:
Boiling Point: 464.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.7±6.0 kJ/mol
Flash Point: 224.5±17.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -3.78
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.68
ACD/LogD (pH 7.4): -1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.68
Polar Surface Area: 64 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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