ChemSpider 2D Image | Dimethyl 6-{(Z)-[1,4-dimethoxy-1,4-dioxo-3-(triphenylphosphoranylidene)-2-butanylidene]amino}-2-(methylsulfanyl)-3,4-pyridinedicarboxylate | C34H31N2O8PS

Dimethyl 6-{(Z)-[1,4-dimethoxy-1,4-dioxo-3-(triphenylphosphoranylidene)-2-butanylidene]amino}-2-(methylsulfanyl)-3,4-pyridinedicarboxylate

  • Molecular FormulaC34H31N2O8PS
  • Average mass658.657 Da
  • Monoisotopic mass658.153870 Da
  • ChemSpider ID30654114

  • Double-bond stereo - Double-bond stereo

More details:

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

3,4-Pyridinedicarboxylic acid, 6-[[(1Z)-3-methoxy-1-(methoxycarbonyl)-3-oxo-2-(triphenylphosphoranylidene)propylidene]amino]-2-(methylthio)-, dimethyl ester [ACD/Index Name]
6-{(Z)-[1,4-Diméthoxy-1,4-dioxo-3-(triphénylphosphoranylidène)-2-butanylidène]amino}-2-(méthylsulfanyl)-3,4-pyridinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 6-{(Z)-[1,4-dimethoxy-1,4-dioxo-3-(triphenylphosphoranylidene)-2-butanylidene]amino}-2-(methylsulfanyl)-3,4-pyridinedicarboxylate [ACD/IUPAC Name]
Dimethyl-6-{(Z)-[1,4-dimethoxy-1,4-dioxo-3-(triphenylphosphoranyliden)-2-butanyliden]amino}-2-(methylsulfanyl)-3,4-pyridindicarboxylat [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: 762.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.1±35.7 °C
Index of Refraction: 1.600
Molar Refractivity: 177.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.64
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 166 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 519.7±7.0 cm3

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