ChemSpider 2D Image | (+)-(S)-alapyridaine | C9H11NO4

(+)-(S)-alapyridaine

  • Molecular FormulaC9H11NO4
  • Average mass197.188 Da
  • Monoisotopic mass197.068802 Da
  • ChemSpider ID30785767

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-(S)-alapyridaine
(2S)-2-[5-Hydroxy-2-(hydroxymethyl)-1-pyridiniumyl]propanoat [German] [ACD/IUPAC Name]
(2S)-2-[5-Hydroxy-2-(hydroxymethyl)-1-pyridiniumyl]propanoate [ACD/IUPAC Name]
(2S)-2-[5-Hydroxy-2-(hydroxyméthyl)-1-pyridiniumyl]propanoate [French] [ACD/IUPAC Name]
Pyridinium, 1-[(1S)-1-carboxyethyl]-5-hydroxy-2-(hydroxymethyl)-, inner salt [ACD/Index Name]
(2S)-2-[5-hydroxy-2-(hydroxymethyl)pyridinium-1-yl]propanoate
(S)-alapyridaine
N-(1-carboxyethyl)-6-hydroxymethyl-pyridinium-3-ol

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: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.96
ACD/LogD (pH 5.5): -3.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability:
Surface Tension:
Molar Volume:

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