ChemSpider 2D Image | 5-(Methylsulfanyl)-2,3-dioxopentyl phosphate | C6H9O6PS

5-(Methylsulfanyl)-2,3-dioxopentyl phosphate

  • Molecular FormulaC6H9O6PS
  • Average mass240.172 Da
  • Monoisotopic mass239.986847 Da
  • ChemSpider ID24785707
  • Charge - Charge


More details:






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

2,3-Pentanedione, 5-(methylthio)-1-(phosphonooxy)-, ion(2-) [ACD/Index Name]
5-(Methylsulfanyl)-2,3-dioxopentyl phosphate [ACD/IUPAC Name]
5-(Methylsulfanyl)-2,3-dioxopentylphosphat [German] [ACD/IUPAC Name]
Phosphate de 5-(méthylsulfanyl)-2,3-dioxopentyle [French] [ACD/IUPAC Name]
11409870
1-phosphoryloxy-2,3-diketo-5-methylthiopentane*1-phospho-2,3-diketo-5-methylthiopentane*DKM-1-P*2,3-diketo-5-methylthio-1-phosphopentane*2,3-diketo-5-methylthiopentyl-1-phosphate*5-(methylsulfanyl)-2,3-dioxopentyl phosphate*5-methylthio-1-(phosphonooxy)pentane-2,3-dione
5-(methylsulfanyl)-1-(phosphonatooxy)pentane-2,3-dione
5-(methylsulfanyl)-2,3-dioxopentyl phosphate(2-)
5-(methylthio)-2,3-dioxopentyl phosphate

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

Density:
Boiling Point: 413.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±6.0 kJ/mol
Flash Point: 203.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -2.14
ACD/LogD (pH 5.5): -5.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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