ChemSpider 2D Image | (3S)-3-Hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylate | C5H6NO3

(3S)-3-Hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylate

  • Molecular FormulaC5H6NO3
  • Average mass128.107 Da
  • Monoisotopic mass128.035324 Da
  • ChemSpider ID58163921

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxy-3,4-dihydro-2H-pyrrol-5-carboxylat [German] [ACD/IUPAC Name]
(3S)-3-Hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylate [ACD/IUPAC Name]
(3S)-3-Hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylate [French] [ACD/IUPAC Name]
2H-Pyrrole-5-carboxylic acid, 3,4-dihydro-3-hydroxy-, ion(1-), (3S)- [ACD/Index Name]
(S)-4-hydroxy-1-pyrroline-2-carboxylate
δ(1)-pyrroline-(4S)-hydroxy-2-carboxylate
  • Miscellaneous

    • Chemical Class:

      A 1-pyrrolinecarboxylate that is the conjugate base of (S)-3-hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylic acid, obtained by deprotonation of the carboxy group. Major species at pH 7.3. ChEBI CHEBI:87834
      A 1-pyrrolinecarboxylate that is the conjugate base of (S)-3-hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylic acid, obtained by deprotonation of the carboxy group. Major; species at pH 7.3. ChEBI CHEBI:87834

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

Density:
Boiling Point: 345.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.3±6.0 kJ/mol
Flash Point: 162.8±30.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.50
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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