ChemSpider 2D Image | Methyl (2E,4E)-3-[(dimethoxyphosphoryl)oxy]-5-hydroxy-5-methoxy-2,4-pentadienoate | C9H15O8P

Methyl (2E,4E)-3-[(dimethoxyphosphoryl)oxy]-5-hydroxy-5-methoxy-2,4-pentadienoate

  • Molecular FormulaC9H15O8P
  • Average mass282.184 Da
  • Monoisotopic mass282.050446 Da
  • ChemSpider ID95750431

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-3-[(Diméthoxyphosphoryl)oxy]-5-hydroxy-5-méthoxy-2,4-pentadiénoate de méthyle [French] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 3-[(dimethoxyphosphinyl)oxy]-5-hydroxy-5-methoxy-, methyl ester, (2E,4E)- [ACD/Index Name]
Methyl (2E,4E)-3-[(dimethoxyphosphoryl)oxy]-5-hydroxy-5-methoxy-2,4-pentadienoate [ACD/IUPAC Name]
Methyl-(2E,4E)-3-[(dimethoxyphosphoryl)oxy]-5-hydroxy-5-methoxy-2,4-pentadienoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 335.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 67.1±6.0 kJ/mol
Flash Point: 156.8±27.9 °C
Index of Refraction: 1.478
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.46
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.32
Polar Surface Area: 110 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 214.5±3.0 cm3

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