ChemSpider 2D Image | (3R,4R)-4-Methyl-6-oxo-3-hexanyl 2-(diphenylphosphino)benzoate | C26H27O3P

(3R,4R)-4-Methyl-6-oxo-3-hexanyl 2-(diphenylphosphino)benzoate

  • Molecular FormulaC26H27O3P
  • Average mass418.465 Da
  • Monoisotopic mass418.169769 Da
  • ChemSpider ID74052506

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-Methyl-6-oxo-3-hexanyl 2-(diphenylphosphino)benzoate [ACD/IUPAC Name]
(3R,4R)-4-Methyl-6-oxo-3-hexanyl-2-(diphenylphosphino)benzoat [German] [ACD/IUPAC Name]
2-(Diphénylphosphino)benzoate de (3R,4R)-4-méthyl-6-oxo-3-hexanyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(diphenylphosphino)-, (1R,2R)-1-ethyl-2-methyl-4-oxobutyl ester [ACD/Index Name]

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

Density:
Boiling Point: 539.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.3±25.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21277.94
ACD/KOC (pH 5.5): 43603.19
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21277.94
ACD/KOC (pH 7.4): 43603.19
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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