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Search term: (2S,3R)-2-hydroxy-3-(indol-3-yl)butanoate (Found by synonym)

ChemSpider 2D Image | (2S,3R)-2-Hydroxy-3-(1H-indol-3-yl)butanoate | C12H12NO3


  • Molecular FormulaC12H12NO3
  • Average mass218.229 Da
  • Monoisotopic mass218.082260 Da
  • ChemSpider ID58170184
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-Hydroxy-3-(1H-indol-3-yl)butanoat [German] [ACD/IUPAC Name]
(2S,3R)-2-Hydroxy-3-(1H-indol-3-yl)butanoate [ACD/IUPAC Name]
(2S,3R)-2-Hydroxy-3-(1H-indol-3-yl)butanoate [French] [ACD/IUPAC Name]
1H-Indole-3-propanoic acid, α-hydroxy-β-methyl-, ion(1-), (αS,βR)- [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A (2S)-2-hydroxy monocarboxylic acid anion that is the conjugate base of indolmycenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:131783

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

Boiling Point: 461.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 232.8±24.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Surface Tension:
Molar Volume:

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