ChemSpider 2D Image | (1Z,3Z)-2,3-Dihydroxy-5-(methylsulfanyl)-1,3-pentadien-1-yl dihydrogen phosphate | C6H11O6PS

(1Z,3Z)-2,3-Dihydroxy-5-(methylsulfanyl)-1,3-pentadien-1-yl dihydrogen phosphate

  • Molecular FormulaC6H11O6PS
  • Average mass242.187 Da
  • Monoisotopic mass242.001389 Da
  • ChemSpider ID95581003

More details:






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

(1Z,3Z)-2,3-Dihydroxy-5-(methylsulfanyl)-1,3-pentadien-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(1Z,3Z)-2,3-Dihydroxy-5-(methylsulfanyl)-1,3-pentadien-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
1,3-Pentadiene-1,2,3-triol, 5-(methylthio)-, 1-(dihydrogen phosphate), (1Z,3Z)- [ACD/Index Name]
Dihydrogénophosphate de (1Z,3Z)-2,3-dihydroxy-5-(méthylsulfanyl)-1,3-pentadién-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: 470.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 238.3±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -4.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 81.2±3.0 dyne/cm
Molar Volume: 148.9±3.0 cm3

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