ChemSpider 2D Image | MB-07811 | C28H32ClO5P

MB-07811

  • Molecular FormulaC28H32ClO5P
  • Average mass514.977 Da
  • Monoisotopic mass514.167603 Da
  • ChemSpider ID13084678
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3Z11398FNQ
4-(4-{[(2R,4S)-4-(3-Chlorophenyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]methoxy}-2,6-dimethylbenzyl)-2-isopropylphenol [ACD/IUPAC Name]
4-(4-{[(2R,4S)-4-(3-Chlorophényl)-2-oxydo-1,3,2-dioxaphosphinan-2-yl]méthoxy}-2,6-diméthylbenzyl)-2-isopropylphénol [French] [ACD/IUPAC Name]
4-(4-{[(2R,4S)-4-(3-Chlorphenyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]methoxy}-2,6-dimethylbenzyl)-2-isopropylphenol [German] [ACD/IUPAC Name]
852948-13-1 [RN]
MB-07811
Phenol, 4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-(1-methylethyl)- [ACD/Index Name]
4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3-dioxa-2λ5-phosphacyclohex-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-isopropylphenol
4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3-dioxa-2λ5-phosphacyclohex-2-yl]methoxy]-2,6-dimethyl-phenyl]methyl]-2-isopropyl-phenol
4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3-dioxa-2λ5-phosphacyclohex-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 660.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 39522.52
ACD/KOC (pH 5.5): 67920.77
ACD/LogD (pH 7.4): 6.35
ACD/BCF (pH 7.4): 39474.13
ACD/KOC (pH 7.4): 67837.60
Polar Surface Area: 75 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 404.2±5.0 cm3

Click to predict properties on the Chemicalize site






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