ChemSpider 2D Image | (2S,4S)-4-Hydroxy-2,3,4,5-tetrahydro-2,6-pyridinedicarboxylate | C7H7NO5

(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydro-2,6-pyridinedicarboxylate

  • Molecular FormulaC7H7NO5
  • Average mass185.135 Da
  • Monoisotopic mass185.033524 Da
  • ChemSpider ID28533132

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydro-2,6-pyridindicarboxylat [German] [ACD/IUPAC Name]
(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydro-2,6-pyridinedicarboxylate [ACD/IUPAC Name]
(2S,4S)-4-Hydroxy-2,3,4,5-tétrahydro-2,6-pyridinedicarboxylate [French] [ACD/IUPAC Name]
2,6-Pyridinedicarboxylic acid, 2,3,4,5-tetrahydro-4-hydroxy-, ion(2-), (2S,4S)- [ACD/Index Name]
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinate
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinate(2-)
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydropyridine-2,6-dicarboxylate
(4S)-4-hydroxy-2,3,4,5-tetrahydro-(2S)-dipicolinate
(4S)-4-hydroxy-2,3,4,5-tetrahydro-(2S)-dipicolinate
(4S)-4-hydroxy-2,3,4,5-tetrahydro-(2S)-dipicolinate(2-)
  • Miscellaneous

    • Chemical Class:

      The dicarboxylic acid dianion formed from (2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid by proton loss from both carboxy groups; major species present at pH 7.; 3. ChEBI CHEBI:67139
      The dicarboxylic acid dianion formed from (2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid by proton loss from both carboxy groups; major species present at pH 7.3. ChEBI CHEBI:67139

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

Density:
Boiling Point: 506.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.4±6.0 kJ/mol
Flash Point: 260.0±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.74
ACD/LogD (pH 5.5): -5.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement