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

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

  • Molecular FormulaC6H11O6PS
  • Average mass242.187 Da
  • Monoisotopic mass242.001389 Da
  • ChemSpider ID95659368

More details:






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

(3Z)-3-Hydroxy-5-(methylsulfanyl)-2-oxo-3-penten-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(3Z)-3-Hydroxy-5-(methylsulfanyl)-2-oxo-3-penten-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
3-Penten-2-one, 3-hydroxy-5-(methylthio)-1-(phosphonooxy)-, (3Z)- [ACD/Index Name]
Dihydrogénophosphate de (3Z)-3-hydroxy-5-(méthylsulfanyl)-2-oxo-3-pentén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 533.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 276.7±32.9 °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: -0.09
ACD/LogD (pH 5.5): -4.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.26
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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