ChemSpider 2D Image | ectoinate | C6H9N2O2

ectoinate

  • Molecular FormulaC6H9N2O2
  • Average mass141.148 Da
  • Monoisotopic mass141.066956 Da
  • ChemSpider ID26606343

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-2-Methyl-1,4,5,6-tetrahydro-4-pyrimidincarboxylat [German] [ACD/IUPAC Name]
(4S)-2-Methyl-1,4,5,6-tetrahydro-4-pyrimidinecarboxylate [ACD/IUPAC Name]
(4S)-2-Méthyl-1,4,5,6-tétrahydro-4-pyrimidinecarboxylate [French] [ACD/IUPAC Name]
4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, ion(1-), (4S)- [ACD/Index Name]
ectoinate
(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate
ectoine anion
ectoine(1-)

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

CHEBI:63475 [DBID]
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of ectoine. ChEBI CHEBI:63475

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

Density:
Boiling Point: 381.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.1±6.0 kJ/mol
Flash Point: 184.5±25.9 °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: 0.27
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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