ChemSpider 2D Image | Bis(2,5-dimethylphenyl) [(1S)-1-{[(benzyloxy)carbonyl]amino}-3-methylbutyl]phosphonate | C29H36NO5P

Bis(2,5-dimethylphenyl) [(1S)-1-{[(benzyloxy)carbonyl]amino}-3-methylbutyl]phosphonate

  • Molecular FormulaC29H36NO5P
  • Average mass509.574 Da
  • Monoisotopic mass509.233124 Da
  • ChemSpider ID26387312

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1S)-1-{[(Benzyloxy)carbonyl]amino}-3-méthylbutyl]phosphonate de bis(2,5-diméthylphényle) [French] [ACD/IUPAC Name]
Bis(2,5-dimethylphenyl) [(1S)-1-{[(benzyloxy)carbonyl]amino}-3-methylbutyl]phosphonate [ACD/IUPAC Name]
Bis(2,5-dimethylphenyl)-[(1S)-1-{[(benzyloxy)carbonyl]amino}-3-methylbutyl]phosphonat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[bis(2,5-dimethylphenoxy)phosphinyl]-3-methylbutyl]-, phenylmethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 632.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.2±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 142.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.90
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 67627.59
ACD/KOC (pH 5.5): 99765.97
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 67585.20
ACD/KOC (pH 7.4): 99703.45
Polar Surface Area: 84 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 443.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement