ChemSpider 2D Image | Benzyl (S)-benzyl[(R)-(4-chlorophenyl){[(4-methylphenyl)sulfonyl]amino}methyl]phosphinate | C28H27ClNO4PS

Benzyl (S)-benzyl[(R)-(4-chlorophenyl){[(4-methylphenyl)sulfonyl]amino}methyl]phosphinate

  • Molecular FormulaC28H27ClNO4PS
  • Average mass540.010 Da
  • Monoisotopic mass539.108704 Da
  • ChemSpider ID74157774

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(S)-Benzyl[(R)-(4-chlorophényl){[(4-méthylphényl)sulfonyl]amino}méthyl]phosphinate de benzyle [French] [ACD/IUPAC Name]
Benzyl (S)-benzyl[(R)-(4-chlorophenyl){[(4-methylphenyl)sulfonyl]amino}methyl]phosphinate [ACD/IUPAC Name]
Benzyl-(S)-benzyl[(R)-(4-chlorphenyl){[(4-methylphenyl)sulfonyl]amino}methyl]phosphinat [German] [ACD/IUPAC Name]
Phosphinic acid, P-[(1S,R)-(4-chlorophenyl)[[(4-methylphenyl)sulfonyl]amino]methyl]-P-[(1S)-phenylmethyl]-, phenylmethyl ester, (S)- [ACD/Index 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: 692.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.6±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 145.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31479.12
ACD/KOC (pH 5.5): 57697.00
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29329.92
ACD/KOC (pH 7.4): 53757.81
Polar Surface Area: 91 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 414.6±3.0 cm3

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