ChemSpider 2D Image | (1E)-2-Hydroxy-5-(methylsulfanyl)-3-oxo-1-penten-1-yl dihydrogen phosphate | C6H11O6PS

(1E)-2-Hydroxy-5-(methylsulfanyl)-3-oxo-1-penten-1-yl dihydrogen phosphate

  • Molecular FormulaC6H11O6PS
  • Average mass242.187 Da
  • Monoisotopic mass242.001389 Da
  • ChemSpider ID24808224
  • Double-bond stereo - Double-bond stereo


More details:






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

(1E)-2-Hydroxy-5-(methylsulfanyl)-3-oxo-1-penten-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(1E)-2-Hydroxy-5-(methylsulfanyl)-3-oxo-1-penten-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
1-Penten-3-one, 2-hydroxy-5-(methylthio)-1-(phosphonooxy)-, (1E)- [ACD/Index Name]
Dihydrogénophosphate de (1E)-2-hydroxy-5-(méthylsulfanyl)-3-oxo-1-pentén-1-yle [French] [ACD/IUPAC Name]
[2-HYDROXY-5-(METHYLSULFANYL)-3-OXOPENT-1-EN-1-YL]OXYPHOSPHONIC ACID

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 473.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 240.3±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 51.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -4.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 72.1±3.0 dyne/cm
Molar Volume: 155.1±3.0 cm3

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