ChemSpider 2D Image | (2R,5Z)-4-Methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid | C7H10NO6PS

(2R,5Z)-4-Methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid

  • Molecular FormulaC7H10NO6PS
  • Average mass267.196 Da
  • Monoisotopic mass266.996643 Da
  • ChemSpider ID30790801

  • 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-(phosphonooxy)ethyliden]-2,5-dihydro-1,3-thiazol-2-carbonsäure [German] [ACD/IUPAC Name]
(2R,5Z)-4-Methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid [ACD/IUPAC Name]
2-Thiazolecarboxylic acid, 2,5-dihydro-4-methyl-5-[2-(phosphonooxy)ethylidene]-, (2R,5Z)- [ACD/Index Name]
Acide (2R,5Z)-4-méthyl-5-[2-(phosphonooxy)éthylidène]-2,5-dihydro-1,3-thiazole-2-carboxylique [French] [ACD/IUPAC Name]
(R,Z)-2-(2-carboxy-4-methylthiazol-5(2H)-ylidene)ethyl phosphate
2-[(2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate
cThz*-P

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

Density: 1.8±0.1 g/cm3
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: 1.669
Molar Refractivity: 55.4±0.5 cm3
#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: 152 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 85.2±7.0 dyne/cm
Molar Volume: 148.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement