ChemSpider 2D Image | (1S)-1-Carboxy-2-(3-hydroxy-4-oxo-1(4H)-pyridinyl)ethanaminium | C8H11N2O4

(1S)-1-Carboxy-2-(3-hydroxy-4-oxo-1(4H)-pyridinyl)ethanaminium

  • Molecular FormulaC8H11N2O4
  • Average mass199.183 Da
  • Monoisotopic mass199.071335 Da
  • ChemSpider ID78315989

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-Carboxy-2-(3-hydroxy-4-oxo-1(4H)-pyridinyl)ethanaminium [German] [ACD/IUPAC Name]
(1S)-1-Carboxy-2-(3-hydroxy-4-oxo-1(4H)-pyridinyl)ethanaminium [ACD/IUPAC Name]
(1S)-1-Carboxy-2-(3-hydroxy-4-oxo-1(4H)-pyridinyl)éthanaminium [French] [ACD/IUPAC Name]
L-Alanine, 3-(3-hydroxy-4-oxo-1(4H)-pyridinyl)-, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 428.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±6.0 kJ/mol
Flash Point: 213.0±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -3.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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