ChemSpider 2D Image | Dimethyl (2Z)-2-{[6-(benzyloxy)-2-(methylsulfanyl)-4-pyrimidinyl]imino}-3-(triphenylphosphoranylidene)succinate | C36H32N3O5PS

Dimethyl (2Z)-2-{[6-(benzyloxy)-2-(methylsulfanyl)-4-pyrimidinyl]imino}-3-(triphenylphosphoranylidene)succinate

  • Molecular FormulaC36H32N3O5PS
  • Average mass649.695 Da
  • Monoisotopic mass649.180054 Da
  • ChemSpider ID30652263

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[6-(Benzyloxy)-2-(méthylsulfanyl)-4-pyrimidinyl]imino}-3-(triphénylphosphoranylidène)succinate de diméthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[[2-(methylthio)-6-(phenylmethoxy)-4-pyrimidinyl]imino]-3-(triphenylphosphoranylidene)-, dimethyl ester, (2Z)- [ACD/Index Name]
Dimethyl (2Z)-2-{[6-(benzyloxy)-2-(methylsulfanyl)-4-pyrimidinyl]imino}-3-(triphenylphosphoranylidene)succinate [ACD/IUPAC Name]
Dimethyl-(2Z)-2-{[6-(benzyloxy)-2-(methylsulfanyl)-4-pyrimidinyl]imino}-3-(triphenylphosphoranyliden)succinat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 786.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 429.3±35.7 °C
Index of Refraction: 1.616
Molar Refractivity: 184.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.04
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: 135 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 528.8±7.0 cm3

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