ChemSpider 2D Image | (2R,5Z)-4-Methyl-5-[2-(phosphonatooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylate | C7H7NO6PS

(2R,5Z)-4-Methyl-5-[2-(phosphonatooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylate

  • Molecular FormulaC7H7NO6PS
  • Average mass264.174 Da
  • Monoisotopic mass263.974823 Da
  • ChemSpider ID26332912

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R,5Z)-4-Methyl-5-[2-(phosphonatooxy)ethyliden]-2,5-dihydro-1,3-thiazol-2-carboxylat [German] [ACD/IUPAC Name]
(2R,5Z)-4-Methyl-5-[2-(phosphonatooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylate [ACD/IUPAC Name]
(2R,5Z)-4-Méthyl-5-[2-(phosphonatooxy)éthylidène]-2,5-dihydro-1,3-thiazole-2-carboxylate [French] [ACD/IUPAC Name]
2-Thiazolecarboxylic acid, 2,5-dihydro-4-methyl-5-[2-(phosphonooxy)ethylidene]-, ion(3-), (2R,5Z)- [ACD/Index Name]
(R,Z)-2-(2-carboxy-4-methylthiazol-5(2H)-ylidene)ethyl phosphate
(R,Z)- 2-(2-carboxy-4-methylthiazol-5(2H)-ylidene)ethyl phosphate
(R,Z)- 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-)
2-[(2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate
cThz*-P
thiazole tautomer
  • Miscellaneous

    • Chemical Class:

      The organophosphate oxoanion that is the 2R,5Z isomer of 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-); protonated to pH 7.3. ChEBI CHEBI:62899

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

Density:
Boiling Point: 591.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 311.6±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -4.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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